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5-CHLORO-1H-PYRROLO[2,3-C]PYRIDINE is a heterocyclic chemical compound characterized by a molecular formula of C9H5ClN2. It features a pyrrole ring fused to a pyridine ring, with a chlorine atom at the 5-position. This unique structure endows it with potential applications across various fields, including pharmaceuticals, agrochemicals, and materials science.

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  • 131084-55-4 Structure
  • Basic information

    1. Product Name: 5-CHLORO-1H-PYRROLO[2,3-C]PYRIDINE
    2. Synonyms: 5-CHLORO-1H-PYRROLO[2,3-C]PYRIDINE;5-Chloro-6-azaindole;1H-Pyrrolo[2,3-c]pyridine, 5-chloro-;1H-PYRROLO[3,2-C]PYRIDIN,5-CHLORO-
    3. CAS NO:131084-55-4
    4. Molecular Formula: C7H5ClN2
    5. Molecular Weight: 152.58
    6. EINECS: N/A
    7. Product Categories: Heterocycle-Pyridine series
    8. Mol File: 131084-55-4.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 335.8 °C at 760 mmHg
    3. Flash Point: 187.2 °C
    4. Appearance: /
    5. Density: 1.425
    6. Vapor Pressure: 0.000228mmHg at 25°C
    7. Refractive Index: 1.703
    8. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    9. Solubility: N/A
    10. PKA: 13.75±0.40(Predicted)
    11. CAS DataBase Reference: 5-CHLORO-1H-PYRROLO[2,3-C]PYRIDINE(CAS DataBase Reference)
    12. NIST Chemistry Reference: 5-CHLORO-1H-PYRROLO[2,3-C]PYRIDINE(131084-55-4)
    13. EPA Substance Registry System: 5-CHLORO-1H-PYRROLO[2,3-C]PYRIDINE(131084-55-4)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 131084-55-4(Hazardous Substances Data)

131084-55-4 Usage

Uses

Used in Pharmaceutical Industry:
5-CHLORO-1H-PYRROLO[2,3-C]PYRIDINE is used as an intermediate in the synthesis of various organic compounds for the development of new drugs. Its unique structure and potential pharmacological properties make it a valuable building block in drug discovery and design.
Used in Agrochemical Industry:
In the agrochemical sector, 5-CHLORO-1H-PYRROLO[2,3-C]PYRIDINE serves as a key intermediate in the synthesis of agrochemicals, contributing to the development of innovative and effective products for crop protection and pest management.
Used in Materials Science:
5-CHLORO-1H-PYRROLO[2,3-C]PYRIDINE is utilized as a component in the development of new materials with specific properties, such as electronic, optical, or catalytic applications, due to its unique molecular structure and chemical reactivity.
Research and Development:
5-CHLORO-1H-PYRROLO[2,3-C]PYRIDINE has been the subject of ongoing research and development efforts, aimed at exploring its full potential in various applications and uncovering new uses based on its unique structural and chemical characteristics.

Check Digit Verification of cas no

The CAS Registry Mumber 131084-55-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,1,0,8 and 4 respectively; the second part has 2 digits, 5 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 131084-55:
(8*1)+(7*3)+(6*1)+(5*0)+(4*8)+(3*4)+(2*5)+(1*5)=94
94 % 10 = 4
So 131084-55-4 is a valid CAS Registry Number.
InChI:InChI=1/C7H5ClN2/c8-7-3-5-1-2-9-6(5)4-10-7/h1-4,9H

131084-55-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-Chloro-1H-Pyrrolo[2,3-C]Pyridine

1.2 Other means of identification

Product number -
Other names 5-Chloro-1H-pyrrolo[2,3-c]pyridine

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:131084-55-4 SDS

131084-55-4Relevant articles and documents

Heterocyclic compound as FGFR inhibitor, synthesis method and applications thereof

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Paragraph 0165; 0168-0171, (2019/10/01)

The present invention discloses a heterocyclic compound as an FGFR inhibitor, and a synthesis method thereof, and applications of the heterocyclic compound in preparation of drugs for treating cancers. According to the present invention, the heterocyclic compound as the FGFR inhibitor or the pharmaceutically acceptable salt thereof has high FGFR inhibitory action, and the pharmaceutical composition prepared from the heterocyclic compound has good anticancer effect and wide application range.

TYK2 INHIBITORS AND USES THEREOF

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Paragraph 001020; 001022, (2018/04/27)

The present invention provides compounds, compositions thereof, and methods of using the same for the inhibition of TYK2, and the treatment of TYK2-mediated disorders.

New bicyclic compounds as crac channel modulators

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Paragraph 0190, (2014/06/24)

The present invention relates to novel compounds which are inhibitors of CRAC channel activity. This invention also relates to pharmaceutical compositions containing them, process for their preparation and their use in therapy.

ISOTOPICALLY LABELED BIARYL UREA COMPOUNDS

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Page/Page column 14; 15, (2014/01/07)

The present invention is directed to isotopically labeled biaryl urea compounds which possess high affinity to neurofibrillary tangles (NFTs), and thus are useful to determine the amount and distribution of NFTs in brain. The isotopically labeled biaryl urea compounds may also be useful as PET tracers and in competition assays to identify other compounds that may serve as PET tracers.

NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY

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Page/Page column 42; 43, (2010/04/28)

The present invention relates to a compound of formula I: wherein: R1 is C1-6 alkyl, C3-8 cycloalkyl, aryl, heterocyclyl, or -COR1x, where the C1-6 alkyl, C3-8 cycloalkyl, aryl, and heterocyclyl may be substituted; and R1x is C3-8 cycloalkyl, aryl, or heterocyclyl, any of which may be substituted; R2, R3, R4, R5, R6, and R7 are each independently hydrogen, halogen, C1-6 alkyl, or aryl, where the C1-6 alkyl or aryl may be substituted; R8 is hydrogen, C1-6 alkyl, aryl, or heterocyclyl, any of which may be substituted; or a pharmaceutically acceptable salt or ester thereof.

Design, synthesis, and SAR of cis-1,2-diaminocyclohexane derivatives as potent factor Xa inhibitors. Part I: Exploration of 5-6 fused rings as alternative S1 moieties

Yoshikawa, Kenji,Yokomizo, Aki,Naito, Hiroyuki,Haginoya, Noriyasu,Kobayashi, Shozo,Yoshino, Toshiharu,Nagata, Tsutomu,Mochizuki, Akiyoshi,Osanai, Ken,Watanabe, Kengo,Kanno, Hideyuki,Ohta, Toshiharu

experimental part, p. 8206 - 8220 (2010/04/06)

A series of cis-1,2-diaminocyclohexane derivatives were synthesized with the aim of optimizing previously disclosed factor Xa (fXa) inhibitors. The exploration of 5-6 fused rings as alternative S1 moieties resulted in two compounds which demonstrated improved solubility and reduced food effect compared to the clinical candidate, compound A. Herein, we describe the synthesis and structure-activity relationship (SAR), together with the physicochemical properties and pharmacokinetic (PK) profiles of some prospective compounds.

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