3-Bromopyridine
Properties
- Molecular formula
- C5H4BrN
- Molar mass
- 158.00 g/mol
- Exact mass
- 156.9527 Da
- Melting point
- −27.3 °C
- Boiling point
- 173 °C
- Flash point
- 51 °C
- logP
- 1.84Crippen estimate
- Polar surface area
- 12.9 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H226 Flammable liquid and vapor93.3% of notifiers
- H301 Toxic if swallowed11.7% of notifiers
- H302 Harmful if swallowed86.7% of notifiers
- H311 Toxic in contact with skin18.3% of notifiers
- H315 Causes skin irritation98.3% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled11.7% of notifiers
- H335 May cause respiratory irritation95% of notifiers
Aggregated from 60 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
626-55-1SMILES
Brc1cccnc1InChIKey
NYPYPOZNGOXYSU-UHFFFAOYSA-NInChI
InChI=1S/C5H4BrN/c6-5-2-1-3-7-4-5/h1-4HWeigh 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.