2-Benzoylpyridine
Properties
- Molecular formula
- C12H9NO
- Molar mass
- 183.21 g/mol
- Exact mass
- 183.0684 Da
- Density
- 1.15 g/mL
- Melting point
- 42 °C
- Boiling point
- 317 °C
- logP
- 2.31Crippen estimate
- Polar surface area
- 30.0 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation96% of notifiers
- H319 Causes serious eye irritation96% of notifiers
- H335 May cause respiratory irritation90% of notifiers
Aggregated from 50 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
91-02-1SMILES
O=C(c1ccccc1)c1ccccn1InChIKey
GCSHUYKULREZSJ-UHFFFAOYSA-NInChI
InChI=1S/C12H9NO/c14-12(10-6-2-1-3-7-10)11-8-4-5-9-13-11/h1-9HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- Methanone, phenyl-2-pyridinyl-
- Ketone, phenyl 2-pyridyl
- Phenyl-2-pyridinylmethanone
- Phenyl 2-pyridyl ketone
- 2-Pyridyl phenyl ketone
- NSC 20887
- 2′-Benzoylpyridine
- 1-(Pyridin-2′-yl)-phenylmethanone
Work with 2-Benzoylpyridine
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
2-Pyridyl ketone19437-26-476 % similar
(4-Chlorophenyl)-2-pyridinylmethanone6318-51-071 % similar
2,2′-Pyridil492-73-957 % similar
Benzophenone119-61-956 % similar
2-(2-Aminobenzoyl)pyridine42471-56-756 % similar
1,4-Dibenzoylbenzene3016-97-554 % similar
1,3-Di(2-pyridyl)-1,3-propanedione10198-89-752 % similar
2-Acetylpyridine1122-62-952 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.