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488713-31-1

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Basic Information
CAS No.: 488713-31-1
Name: 2-PYRIDINECARBONITRILE, 5-AMINO-3-CHLORO-
Article Data: 8
Molecular Structure:
Molecular Structure of 488713-31-1 (2-PYRIDINECARBONITRILE, 5-AMINO-3-CHLORO-)
Formula: C6H4ClN3
Molecular Weight: 153.571
Synonyms: 2-Pyridinecarbonitrile, 5-amino-3-chloro-;
Density: 1.427 g/cm3
Boiling Point: 400.477 °C at 760 mmHg
Flash Point: 196.001 °C
PSA: 62.70000
LogP: 1.77008
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Specification

The 5-Amino-3-chloropyridine-2-carbonitrile, with the CAS registry number 488713-31-1, is also known as 2-Pyridinecarbonitrile, 5-amino-3-chloro-. This chemical's molecular formula is C6H4ClN3 and molecular weight is 153.572. What's more, both its IUPAC name and systematic name are the same which is called 5-Amino-3-chloropyridine-2-carbonitrile.

Physical properties about 5-Amino-3-chloropyridine-2-carbonitrile are: (1)ACD/LogP: 0.78; (2) # of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 9; (6)ACD/BCF (pH 7.4): 9; (7)ACD/KOC (pH 5.5): 168; (8)ACD/KOC (pH 7.4): 168; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 62.7 Å2; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 37.564 cm3; (15)Molar Volume: 107.6 cm3; (16)Polarizability: 14.891×10-24 cm3; (17)Surface Tension: 72.208 dyne/cm; (18)Density: 1.427 g/cm3; (19)Flash Point: 196.001 °C; (20)Enthalpy of Vaporization: 65.135 kJ/mol; (21)Boiling Point: 400.477 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(N)cnc1C#N
(2) InChI: InChI=1/C6H4ClN3/c7-5-1-4(9)3-10-6(5)2-8/h1,3H,9H2
(3) InChIKey: GDIBYDQLRIRVCQ-UHFFFAOYAA