4-Acetylpyridine
Properties
- Molecular formula
- C7H7NO
- Molar mass
- 121.14 g/mol
- Exact mass
- 121.0528 Da
- Density
- 1.111 g/mL (at 23.4 °C)
- Melting point
- 16 °C
- Boiling point
- 212 °C
- Flash point
- 93.3 °C
- Water solubility
- ≥ 100 g/L (18.9 °C)
- logP
- 1.28Crippen estimate
- Polar surface area
- 30.0 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation36.4% of notifiers
- H319 Causes serious eye irritation34.3% of notifiers
- H335 May cause respiratory irritation32.9% of notifiers
Aggregated from 140 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
1122-54-9SMILES
CC(=O)c1ccncc1InChIKey
WMQUKDQWMMOHSA-UHFFFAOYSA-NInChI
InChI=1S/C7H7NO/c1-6(9)7-2-4-8-5-3-7/h2-5H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
12 names
- Ethanone, 1-(4-pyridinyl)-
- Ketone, methyl 4-pyridyl
- 1-(4-Pyridinyl)ethanone
- 4-Pyridyl methyl ketone
- Methyl 4-pyridyl ketone
- γ-Acetylpyridine
- NSC 111
- 4-Pyridinyl methyl ketone
- 1-(Pyridin-4-yl)ethan-1-one
- 1-(Pyridn-4-yl)ethanone
- Methyl pyridin-4-yl ketone
- 4-Pyridylethanone
Work with 4-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
1,4-Diacetylbenzene1009-61-667 % similar
4,4'-Diacetylbiphenyl787-69-958 % similar
Acetophenone98-86-258 % similar
1-(Pyrimidin-5-yl)ethan-1-one10325-70-956 % similar
P-Methylacetophenone122-00-954 % similar
1,1′,1′′-(1,3,5-Benzenetriyl)tris[ethanone]779-90-852 % similar
1-(4-Iodophenyl)ethan-1-one13329-40-352 % similar
4-Acetylphenyl ether2615-11-452 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds