3-Acetylpyridine
Properties
- Molecular formula
- C7H7NO
- Molar mass
- 121.14 g/mol
- Exact mass
- 121.0528 Da
- Density
- 1.103–1.112 g/mL
- Melting point
- 13.5 °C
- Boiling point
- 220 °C
- logP
- 1.28Crippen estimate
- Polar surface area
- 30.0 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H301 Toxic if swallowed99.9% of notifiers
Aggregated from 1,657 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P301+P316, P321, P330, P405, P501
Identifiers
CAS number
350-03-8SMILES
CC(=O)c1cccnc1InChIKey
WEGYGNROSJDEIW-UHFFFAOYSA-NInChI
InChI=1S/C7H7NO/c1-6(9)7-3-2-4-8-5-7/h2-5H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
15 names · show all
- Ethanone, 1-(3-pyridinyl)-
- Ketone, methyl 3-pyridyl
- 1-(3-Pyridinyl)ethanone
- β-Acetylpyridine
- Methyl β-pyridyl ketone
- Methyl 3-pyridyl ketone
- 3-Acetopyridine
- 3-Pyridyl methyl ketone
- 3-Pyridinyl methyl ketone
- NSC 761
- 1-(Pyridin-3-yl)ethan-1-one
- 1-(Pyridn-3-yl)ethanone
- Methyl pyridin-3-yl ketone
- 1-(3-Pyridyl)ethanone
- 3-Pyridylethanone
Work with 3-Acetylpyridine
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
1-(Pyrimidin-5-yl)ethan-1-one10325-70-959 % similar
Acetophenone98-86-256 % similar
Nicotinic anhydride16837-38-055 % similar
Phenyl-3-pyridinylmethanone5424-19-155 % similar
Niacin59-67-655 % similar
1-(3-Pyridyl)propan-1-one1570-48-555 % similar
Methyl nicotinate93-60-755 % similar
1,3-Diacetylbenzene6781-42-654 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds