Molecule

ID:90472

General Information
Structure
MolImage
Molecular Formula
C₇H₅BrN₂
Molecular Mass
197.032
Exact Mass
195.96361017
Charge
0
InChI
InChI=1S/C7H5BrN2/c1-5-2-6(8)7(3-9)10-4-5/h2,4H,1H3
InChIKey
WGKYSFRFMQHMOF-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ncc(cc1Br)C
Isomeric Smiles
n1cc(cc(c1C#N)Br)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2796926
LogD (pH = 7.4)
2.2796938
Log P
2.2796938
Molar Refractivity
41.9147
Polarizability
15.9013195
Polar Surface Area
36.68
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
Molecule Details
References
Bioactivity
Navigation
CAS 474824-78-7|3-Bromo-5-methylpyridine-2-carbonitrile|3-Bromo-2-cyano-5-methylpyridine|3-Bromo-5-methylpicolinonitrile|3-bromo-5-methylpyridine-2-carbonitrile|3-bromo-5-methylpyridine-2-carbonitri... | Molfinder