Name: 3-BROMOMETHYL-PYRIDINE-2-CARBONITRILE
SKU: 116986-13-1

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Basic Information

Molecular Structure:
CAS No.:	116986-13-1
Name:	3-BROMOMETHYL-PYRIDINE-2-CARBONITRILE
Article Data:	20

Formula:	C₇H₅BrN₂
Molecular Weight:	197.034
Synonyms:	2-Cyano-3-(bromomethyl)pyridine;3-(Bromomethyl)-2-cyanopyridine;3-(Bromomethyl)-2-pyridinecarbonitrile;
Density:	1.6 g/cm³
Boiling Point:	308.2 °C at 760 mmHg
Flash Point:	140.2 °C
PSA:	36.68000
LogP:	1.84818

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Specification

The 3-(Bromomethyl)pyridine-2-carbonitrile, with the CAS registry number 116986-13-1, is also known as 2-Pyridinecarbonitrile, 3-(bromomethyl)-. It belongs to the product categories of Pyridine Series; Methyl Halides; Pyridines and Methyl Halides. This chemical's molecular formula is C₇H₅BrN₂ and molecular weight is 197.03. What's more, its systematic name is called 3-(Bromomethyl)pyridine-2-carbonitrile.

Physical properties about 3-(Bromomethyl)pyridine-2-carbonitrile are: (1) ACD/LogP: 1.21; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.21; (4) ACD/LogD (pH 7.4): 1.21; (5) ACD/BCF (pH 5.5): 4.91; (6) ACD/BCF (pH 7.4): 4.91; (7) ACD/KOC (pH 5.5): 108.77; (8) ACD/KOC (pH 7.4): 108.77; (9) #H bond acceptors: 2; (10)#H bond donors: 0; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 36.68 Å²; (13) Index of Refraction: 1.591; (14) Molar Refractivity: 41.47 cm³; (15) Molar Volume: 122.5 cm³; (16) Surface Tension: 58.9 dyne/cm; (17) Density: 1.6 g/cm³; (18) Flash Point: 140.2 °C; (19) Enthalpy of Vaporization: 54.89 kJ/mol; (20) Boiling Point: 308.2 °C at 760 mmHg; (21) Vapour Pressure: 0.00069 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1ncccc1CBr
(2) InChI: InChI=1/C7H5BrN2/c8-4-6-2-1-3-10-7(6)5-9/h1-3H,4H2
(3) InChIKey: BSSLVCQAYWTRRC-UHFFFAOYAV