chempirical

4-Benzoylpyridine

C12H9NOCAS 14548-46-0183.21 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
72 °C
Boiling point
315 °C
logP
2.31Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
14548-46-0
SMILES
O=C(c1ccccc1)c1ccncc1
InChIKey
SKFLCXNDKRUHTA-UHFFFAOYSA-N
InChI
InChI=1S/C12H9NO/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-9H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • NSC 9488
  • Methanone, phenyl-4-pyridinyl-
  • Ketone, phenyl 4-pyridyl
  • Phenyl-4-pyridinylmethanone
  • 4-Pyridyl phenyl ketone
  • Ba 33215
  • Phenyl 4-pyridyl ketone
  • γ-Benzoylpyridine
  • Phenyl(4-pyridinyl)methanone

Work with 4-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

Benzophenone119-61-971 % similar 1,4-Dibenzoylbenzene3016-97-568 % similar Phenyl-3-pyridinylmethanone5424-19-167 % similar 4-(4-Chlorobenzoyl)pyridine14548-48-261 % similar 1,3-Dibenzoylbenzene3770-82-960 % similar 4-Phenylbenzophenone2128-93-058 % similar 1,2-Dibenzoylbenzene1159-86-056 % similar 2-Benzoylpyridine91-02-155 % 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 Phenoxazine135-67-1 2-(4-Pyridinyl)benzaldehyde176526-00-4 2-Methylnaphth[2,3-D]oxazole20686-66-2 3-Dibenzofuranamine4106-66-5 1-Dibenzofuranamine50548-40-8 4-Dibenzofuranamine50548-43-1

Elsewhere

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