chempirical

3-Bromo-2-methylpyridine

C6H6BrNCAS 38749-79-0172.02 g/mol

Open in Covalent MOL file
NBr
Aryl halide

Properties

Molecular formula
C6H6BrN
Molar mass
172.02 g/mol
Exact mass
170.9684 Da
logP
2.15Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
38749-79-0
SMILES
CC1=C(C=CC=N1)Br
InChIKey
AIPWPTPHMIYYOX-UHFFFAOYSA-N
InChI
InChI=1S/C6H6BrN/c1-5-6(7)3-2-4-8-5/h2-4H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 3-Bromo-2-methylpyridine

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

2,3-Lutidine583-61-956 % similar 4-Bromo-2,3-dimethylpyridine259807-91-556 % similar 3-Bromo-2-methoxypyridine13472-59-854 % similar 2,3-Dibromopyridine13534-89-952 % similar 3-Hydroxy-2-methylpyridine1121-25-152 % similar 3-Fluoro-2-methylpyridine15931-15-452 % similar 3-Amino-2-methylpyridine3430-10-252 % similar 4-Bromo-2-methyl-3-pyridinamine126325-48-252 % similar

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

Same formula

4-Bromo-3-methylpyridine10168-00-0 4-Bromoaniline106-40-1 4-Bromo-2-methylpyridine22282-99-1 5-Bromo-2-methylpyridine3430-13-5 3-Bromo-5-methylpyridine3430-16-8 2-Bromo-3-methylpyridine3430-17-9 3-Bromo-4-methylpyridine3430-22-6 2-Bromo-5-methylpyridine3510-66-5

Elsewhere

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