2-Amino-5-bromo-3-cyano-4-picoline supplier

Name
2-Amino-5-bromo-4-methylpyridine-3-carbonitrile
EINECS
CAS No. 180994-87-0
Article Data3
CAS DataBase
Density 1.68 g/cm³
Solubility
Melting Point
Formula C₇H₆BrN₃
Boiling Point 303.5 °C at 760 mmHg
Molecular Weight 212.05
Flash Point 137.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-amino-5-bromo-4-methylpyridine-3-carbonitrile;2-amino-5-bromo-4-methylpyridine-3-carbonitrile;3-pyridinecarbonitrile, 2-amino-5-bromo-4-methyl-;2-Amino-3-cyano-4-methyl-5-bromo-pyridine;
PSA 62.70000
LogP 2.18758

2-Amino-5-bromo-3-cyano-4-picoline Specification

The 2-Amino-5-bromo-3-cyano-4-picoline, with the CAS registry number 180994-87-0, has the systematic name of 2-amino-5-bromo-4-methylpyridine-3-carbonitrile. It belongs to the product category of Pyridine. And the molecular formula of the chemical is C₇H₆BrN₃.

The characteristics of 2-Amino-5-bromo-3-cyano-4-picoline are as followings: (1)ACD/LogP: 2.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.96; (4)ACD/LogD (pH 7.4): 2.96; (5)ACD/BCF (pH 5.5): 105.06; (6)ACD/BCF (pH 7.4): 105.07; (7)ACD/KOC (pH 5.5): 973.95; (8)ACD/KOC (pH 7.4): 974.04; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 39.92 Å²; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 45.08 cm³; (15)Molar Volume: 125.5 cm³; (16)Polarizability: 17.87×10^-24cm³; (17)Surface Tension: 72.1 dyne/cm; (18)Density: 1.68 g/cm³; (19)Flash Point: 137.4 °C; (20)Enthalpy of Vaporization: 54.38 kJ/mol; (21)Boiling Point: 303.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000924 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N#Cc1c(c(Br)cnc1N)C
(2)InChI: InChI=1/C7H6BrN3/c1-4-5(2-9)7(10)11-3-6(4)8/h3H,1H3,(H2,10,11)
(3)InChIKey: MRSKAISFGNZSIP-UHFFFAOYAO

Product Name

2-Amino-5-bromo-4-methylpyridine-3-carbonitrile

2-Amino-5-bromo-3-cyano-4-picoline Specification

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