2-Pyridinecarbonitrile,5-(bromomethyl)- (308846-06-2)

The 2-Cyano-5-bromomethylpyridine, with its CAS registry number 308846-06-2, has the systematic name of 5-(bromomethyl)pyridine-2-carbonitrile. And its product categories are including Methyl Halides; Pyridines; Methyl Halides.

The characteristics of Styron G 9001 are as follows: (1)ACD/LogP: 1.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 109; (8)ACD/KOC (pH 7.4): 109; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 36.68; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 41.471 cm³; (15)Molar Volume: 122.586 cm³; (16)Polarizability: 16.44×10^-24 cm³; (17)Surface Tension: 58.973 dyne/cm; (18)Density: 1.607 g/cm³; (19)Flash Point: 153.087 °C; (20)Enthalpy of Vaporization: 57.201 kJ/mol; (21)Boiling Point: 329.518 °C at 760 mmHg.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:N#Cc1ccc(CBr)cn1
(2)InChI:InChI=1/C7H5BrN2/c8-3-6-1-2-7(4-9)10-5-6/h1-2,5H,3H2
(3)InChIKey:VEPVNICICSNYPW-UHFFFAOYAJ