chempirical

3-Bromopyridine

C5H4BrNCAS 626-55-1158.00 g/mol

Open in Covalent MOL file
BrN
Aryl halide

Properties

Molecular formula
C5H4BrN
Molar mass
158.00 g/mol
Exact mass
156.9527 Da
Melting point
−27.3 °C
Boiling point
173 °C
logP
1.84Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
626-55-1
SMILES
Brc1cccnc1
InChIKey
NYPYPOZNGOXYSU-UHFFFAOYSA-N
InChI
InChI=1S/C5H4BrN/c6-5-2-1-3-7-4-5/h1-4H

Weigh it out

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

Names and synonyms

6 names
  • Pyridine, 3-bromo-
  • 3-Pyridyl bromide
  • NSC 3974
  • m-Bromopyridine
  • 5-Bromopyridine
  • Pyridin-3-yl bromide

Work with 3-Bromopyridine

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-(4-Bromophenyl)pyridine129013-83-858 % similar 3-Fluoropyridine372-47-446 % similar 5-Bromopyrimidine4595-59-945 % similar 3,5-Dibromopyridine625-92-345 % similar 3-Phenylpyridine1008-88-444 % similar 3-Methylpyridine108-99-644 % similar 3-Hydroxypyridine109-00-244 % similar 3-Iodopyridine1120-90-744 % similar

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

Same formula

2-Bromopyridine109-04-6 4-Bromopyridine1120-87-2

Elsewhere

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