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1020056-56-7

Basic Information
CAS No.: 1020056-56-7
Name: 4-Chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine
Molecular Structure:
Molecular Structure of 1020056-56-7 (4-Chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine)
Formula: C8H7ClN2
Molecular Weight: 166.61
Synonyms: 1H-Pyrrolo[2,3-b]pyridine, 4-chloro-5-methyl-;
EINECS: 604-604-1
Density: 1.351 g/cm3
Hazard Symbols: IrritantXi
Risk Codes: 22-41
Safety: 26-39
PSA: 28.68000
LogP: 2.52470
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Specification

The systematic name of this chemical is 4-Chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine. With the CAS registry number 1020056-56-7, it is also named as 1H-Pyrrolo[2,3-b]pyridine, 4-chloro-5-methyl-. In addition, its molecular formula is C8H7ClN2 and molecular weight is 166.6076.

Physical properties about the 4-Chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine are: (1)ACD/LogP: 2.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.95; (4)ACD/LogD (pH 7.4): 2.97 ; (5)#H bond acceptors: 2; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 28.68 Å2; (9)Index of Refraction: 1.675; (10)Molar Refractivity: 46.33 cm3; (11)Molar Volume: 123.3 cm3; (12)Surface Tension: 56.6 dyne/cm; (13)Density: 1.351 g/cm3.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1c(C)cnc2nccc12
(2) InChI: InChI=1/C8H7ClN2/c1-5-4-11-8-6(7(5)9)2-3-10-8/h2-4H,1H3,(H,10,11)
(3) InChIKey: LIMOUCQGJZDFKP-UHFFFAOYAH