2-Pyridinepropanenitrile (35549-47-4)

The 2-Cyanoethylpyridine with the CAS number 35549-47-4 is also called 2-Pyridinepropanenitrile. The IUPAC name is 3-pyridin-2-ylpropanenitrile. Its molecular formula is C₈H₈N₂. This chemical is irritant. While using this chemical, you should be very cautious. It should be stored in dry and cool environment.

The properties of the 2-Cyanoethylpyridine are: (1)ACD/LogP: 0.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25; (8)ACD/KOC (pH 7.4): 32; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 36.68 Å²; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 38.44 cm³; (15)Molar Volume: 125.364 cm³; (16)Polarizability: 15.239×10^-24cm³; (17)Surface Tension: 45.782 dyne/cm; (18)Enthalpy of Vaporization: 51.56 kJ/mol; (19)Vapour Pressure: 0.005 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCCc1ccccn1
(2)InChI: InChI=1/C8H8N2/c9-6-3-5-8-4-1-2-7-10-8/h1-2,4,7H,3,5H2
(3)InChIKey: KWGZNYCFTYOQHV-UHFFFAOYAF