chempirical

4-(4'-Chlorobenzoyl)pyridine

C12H8ClNOCAS 14548-48-2217.65 g/mol

Open in Covalent MOL file
ONCl
Aryl halideKetone

Properties

Molecular formula
C12H8ClNO
Molar mass
217.65 g/mol
Exact mass
217.0294 Da
Melting point
108–109 °C
logP
2.97Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 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
14548-48-2
SMILES
O=C(c1ccncc1)c1ccc(Cl)cc1
InChIKey
YMTFKKLFLLAFNI-UHFFFAOYSA-N
InChI
InChI=1S/C12H8ClNO/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-8H

Weigh it out

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

Names and synonyms

7 names
  • 4-(4-Chlorobenzoyl)pyridine
  • Methanone, (4-chlorophenyl)-4-pyridinyl-
  • Ketone, p-chlorophenyl 4-pyridyl
  • (4-Chlorophenyl)-4-pyridinylmethanone
  • 4-(p-Chlorobenzoyl)pyridine
  • 4-Chlorophenyl 4-pyridyl ketone
  • NSC 76045

Work with 4-(4'-Chlorobenzoyl)pyridine

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

4,4′-Dichlorobenzophenone90-98-275 % similar 4-Chlorobenzophenone134-85-064 % similar 4-Benzoylpyridine14548-46-061 % similar 4-Bromo-4'-chlorobenzophenone27428-57-560 % similar 4-Chloro-4′-hydroxybenzophenone42019-78-360 % similar 4-Chloropyridine626-61-952 % similar 4-Chloro-4′-nitrobenzophenone7497-60-151 % similar 4,4′-Dichlorobenzil3457-46-350 % similar

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

Same formula

(4-Chlorophenyl)-2-pyridinylmethanone6318-51-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook