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Basic Information
CAS No.: 39065-45-7
Name: 5-PHENYLPYRIDINE-2-CARBONITRILE
Article Data: 10
Molecular Structure:
Molecular Structure of 39065-45-7 (5-PHENYLPYRIDINE-2-CARBONITRILE)
Formula: C12H8N2
Molecular Weight: 180.209
Synonyms: 5-PHENYLPYRIDINE-2-CARBONITRILE;2-Cyano-5-phenylpyridine;5-Phenyl-2-pyridinecarbonitrile
Density: 1.17 g/cm3
Melting Point: 93-94℃
Boiling Point: 363 °C at 760 mmHg
Flash Point: 125 °C
PSA: 36.68000
LogP: 2.62028
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Specification

The 2-Pyridinecarbonitrile,5-phenyl- is an organic compound with the formula C12H8N2. The systematic name of this chemical is 5-Phenylpyridine-2-carbonitrile. With the CAS registry number 39065-45-7, it is also named as 2-Cyano-5-phenylpyridine. Besides, its molecular weight is 180.21.

The physical properties of this chemical are: (1)ACD/LogP: 2.33; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 36.68 Å2; (5)Index of Refraction: 1.62; (6)Molar Refractivity: 53.82 cm3; (7)Molar Volume: 153.2 cm3; (8)Polarizability: 21.33×10-24 cm3; (9)Surface Tension: 56.8 dyne/cm; (10)Density: 1.17 g/cm3; (11)Flash Point: 125 °C; (12)Enthalpy of Vaporization: 60.9 kJ/mol; (13)Boiling Point: 363 °C at 760 mmHg; (14)Vapour Pressure: 1.86E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc2ncc(c1ccccc1)cc2
(2)InChI: InChI=1/C12H8N2/c13-8-12-7-6-11(9-14-12)10-4-2-1-3-5-10/h1-7,9H
(3)InChIKey: FOMAKWRPGGQFNG-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C12H8N2/c13-8-12-7-6-11(9-14-12)10-4-2-1-3-5-10/h1-7,9H
(5)Std. InChIKey: FOMAKWRPGGQFNG-UHFFFAOYSA-N