2-Pyridineacetonitrile,6-bromo- (112575-11-8)

The (6-Bromopyridin-2-yl)acetonitrile with its cas register number is 112575-11-8. It also can be called as 2-Pyridineacetonitrile,6-bromo- and the IUPAC Name about this chemical is 2-(6-bromopyridin-2-yl)acetonitrile.

Physical properties about (6-Bromopyridin-2-yl)acetonitrile are: (1)ACD/LogP: 0.76; (2)ACD/LogD (pH 5.5): 0.76; (3)ACD/LogD (pH 7.4): 0.76; (4)ACD/BCF (pH 5.5): 2.23; (5)ACD/BCF (pH 7.4): 2.23; (6)ACD/KOC (pH 5.5): 61.86; (7)ACD/KOC (pH 7.4): 61.86; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 36.68Ų; (11)Index of Refraction: 1.578; (12)Molar Refractivity: 41.49 cm³; (13)Molar Volume: 125 cm³; (14)Polarizability: 16.45x10^-24cm³; (15)Surface Tension: 52.6 dyne/cm; (16)Enthalpy of Vaporization: 54.62 kJ/mol; (17)Vapour Pressure: 0.000807 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=NC(=C1)Br)CC#N
(2)InChI: InChI=1S/C7H5BrN2/c8-7-3-1-2-6(10-7)4-5-9/h1-3H,4H2
(3)InChIKey: WUYNZPVTHRDYDT-UHFFFAOYSA-N