chempirical

5-Bromo-4-methyl-pyridine-2-carbonitrile

C7H5BrN2CAS 886364-86-9197.03 g/mol

Open in Covalent MOL file
NBrN
Aryl halideNitrile

Properties

Molecular formula
C7H5BrN2
Molar mass
197.03 g/mol
Exact mass
195.9636 Da
logP
2.02Crippen estimate
Polar surface area
36.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
886364-86-9
SMILES
CC1=CC(=NC=C1Br)C#N
InChIKey
JAQLBGDFALXUMV-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrN2/c1-5-2-6(3-9)10-4-7(5)8/h2,4H,1H3

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Names and synonyms

1 names
  • 5-Bromo-4-methylpyridine-2-carbonitrile

Work with 5-Bromo-4-methyl-pyridine-2-carbonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,5-Dibromo-4-methylpyridine3430-26-053 % similar 5-Bromo-2-chloro-4-methylpyridine778611-64-650 % similar 5-Bromo-2-fluoro-4-methyl-pyridine864830-16-050 % similar 4-Bromo-3-methylbenzonitrile41963-20-649 % similar 5-Bromo-2-methoxy-4-methylpyridine164513-39-747 % similar 4-Methyl-2-pyridinecarbonitrile1620-76-446 % similar 4-Bromo-2-pyridinecarbonitrile62150-45-246 % similar 3-Bromo-4-methylbenzonitrile42872-74-244 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Bromo-4-azaindole1000341-51-4 2-Bromo-5-cyano-4-picoline1003711-35-0 5-Bromopyrazolo[1,5-A]pyridine1060812-84-1 2-Amino-3-bromobenzonitrile114344-60-4 5-Bromo-1H-pyrrolo[2,3-c]pyridine1215387-58-8 6-Bromopyrazolo(1,5-a)pyridine1264193-11-4 6-Bromo-1H-pyrrolo[2,3-B]pyridine143468-13-7 5-Bromo-3-methylpyridine-2-carbonitrile156072-86-5

Elsewhere

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