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4-(3-Pyridyl)-2-chloropyrimidine

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Name

4-(3-Pyridyl)-2-chloropyrimidine

EINECS N/A
CAS No. 483324-01-2 Density 1.309 g/cm3
PSA 38.67000 LogP 2.19200
Solubility N/A Melting Point N/A
Formula C9H6ClN3 Boiling Point 399.5 °C at 760 mmHg
Molecular Weight 191.62 Flash Point 227.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 483324-01-2 (Pyrimidine,2-chloro-4-(3-pyridinyl)-) Hazard Symbols N/A
Synonyms

2-Chloro-4-(3-pyridyl)pyrimidine;2-Chloro-4-(pyridin-3-yl)pyrimidine;

Article Data 19

4-(3-Pyridyl)-2-chloropyrimidine Specification

The 4-(3-Pyridyl)-2-chloropyrimidine, with the CAS registry number 483324-01-2, has the systematic name of 2-chloro-4-pyridin-3-ylpyrimidine. The molecular formula of the chemical is C9H6ClN3. And it belongs to the category of Heterocyclic Building Blocks.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.80; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 38.67 Å2; (7)Index of Refraction: 1.599; (8)Molar Refractivity: 50.01 cm3; (9)Molar Volume: 146.3 cm3; (10)Polarizability: 19.82×10-24cm3; (11)Surface Tension: 55.2 dyne/cm; (12)Density: 1.309 g/cm3; (13)Flash Point: 227.7 °C; (14)Enthalpy of Vaporization: 62.49 kJ/mol; (15)Boiling Point: 399.5 °C at 760 mmHg; (16)Vapour Pressure: 3.14E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc2nc(c1cnccc1)ccn2
(2)InChI: InChI=1/C9H6ClN3/c10-9-12-5-3-8(13-9)7-2-1-4-11-6-7/h1-6H
(3)InChIKey: MGQROXOMFRGAOY-UHFFFAOYAX

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