Phenyl-3-pyridinylmethanone

C12H9NOCAS 5424-19-1183.21 g/mol

Open in Covalent MOL file
ON
Ketone

Properties

Molecular formula
C12H9NO
Molar mass
183.21 g/mol
Exact mass
183.0684 Da
Melting point
36–40 °C
Boiling point
307 °C
logP
2.31Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 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
5424-19-1
SMILES
O=C(c1ccccc1)c1cccnc1
InChIKey
RYMBAPVTUHZCNF-UHFFFAOYSA-N
InChI
InChI=1S/C12H9NO/c14-12(10-5-2-1-3-6-10)11-7-4-8-13-9-11/h1-9H

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Names and synonyms

7 names
  • Methanone, phenyl-3-pyridinyl-
  • Ketone, phenyl 3-pyridyl
  • 3-Benzoylpyridine
  • Phenyl 3-pyridyl ketone
  • 3-Pyridyl phenyl ketone
  • NSC 13190
  • Phenyl(3-pyridinyl)methanone

Reactions

Work with Phenyl-3-pyridinylmethanone

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

Benzophenone119-61-963 % similar 1,4-Dibenzoylbenzene3016-97-560 % similar Phenyl 3-pyridinecarboxylate3468-53-956 % similar 1,3,5-Tribenzoylbenzene25871-69-656 % similar Nicotinic anhydride16837-38-055 % similar 3-Acetylpyridine350-03-855 % similar Niacin59-67-655 % similar 1,3-Dibenzoylbenzene3770-82-954 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(Pyridin-3-yl)benzaldehyde127406-55-7 4-(2-Pyridinyl)benzaldehyde127406-56-8 3-(3-Pyridyl)benzaldehyde131231-24-8 Phenoxazine135-67-1 4-Benzoylpyridine14548-46-0 2-(4-Pyridinyl)benzaldehyde176526-00-4 2-Methylnaphth[2,3-d]oxazole20686-66-2 3-(Pyridin-4-yl)benzaldehyde208190-04-9

Elsewhere

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