chempirical

(4-Chlorophenyl)-2-pyridinylmethanone

C12H8ClNOCAS 6318-51-0217.65 g/mol

Open in Covalent MOL file
OClN
Aryl halideKetone

Properties

Molecular formula
C12H8ClNO
Molar mass
217.65 g/mol
Exact mass
217.0294 Da
Melting point
64 °C
Boiling point
160 °C (at 0.6 Torr)
logP
2.97Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
6318-51-0
SMILES
O=C(c1ccc(Cl)cc1)c1ccccn1
InChIKey
KHXSJSBQIWAIEG-UHFFFAOYSA-N
InChI
InChI=1S/C12H8ClNO/c13-10-6-4-9(5-7-10)12(15)11-3-1-2-8-14-11/h1-8H

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Names and synonyms

5 names
  • Methanone, (4-chlorophenyl)-2-pyridinyl-
  • Ketone, p-chlorophenyl 2-pyridyl
  • 2-(p-Chlorobenzoyl)pyridine
  • 2-(4-Chlorobenzoyl)pyridine
  • NSC 31646

Work with (4-Chlorophenyl)-2-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Benzoylpyridine91-02-171 % similar 2-Pyridyl ketone19437-26-463 % similar 4-Chlorobenzophenone134-85-059 % similar 4,4′-Dichlorobenzophenone90-98-257 % similar 2,4'-Dichlorobenzophenone85-29-051 % similar 2-Amino-4′-chlorobenzophenone2894-51-149 % similar 2-(2-Aminobenzoyl)pyridine42471-56-749 % similar 2,2′-Pyridil492-73-948 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-(4'-Chlorobenzoyl)pyridine14548-48-2

Elsewhere

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