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| CAS No.: | 483324-01-2 |
|---|---|
| Name: | 4-(3-Pyridyl)-2-chloropyrimidine |
| Article Data: | 19 |
| Molecular Structure: | |
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| Formula: | C9H6ClN3 |
| Molecular Weight: | 191.62 |
| Synonyms: | 2-Chloro-4-(3-pyridyl)pyrimidine;2-Chloro-4-(pyridin-3-yl)pyrimidine; |
| Density: | 1.309 g/cm3 |
| Boiling Point: | 399.5 °C at 760 mmHg |
| Flash Point: | 227.7 °C |
| PSA: | 38.67000 |
| LogP: | 2.19200 |
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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