chempirical

Phenacylpyridinium bromide

C13H12BrNOCAS 16883-69-5278.15 g/mol

Open in Covalent MOL file
ON+Br−
Ketone

Properties

Molecular formula
C13H12BrNO
Molar mass
278.15 g/mol
Exact mass
277.0102 Da
Melting point
199–200 °C (decomposes)
logP
-1.14Crippen estimate
Polar surface area
20.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Identifiers

CAS number
16883-69-5
SMILES
O=C(C[n+]1ccccc1)c1ccccc1.[Br-]
InChIKey
PXSUMUYPXZEXDT-UHFFFAOYSA-M
InChI
InChI=1S/C13H12NO.BrH/c15-13(12-7-3-1-4-8-12)11-14-9-5-2-6-10-14;/h1-10H,11H2;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

9 names
  • Pyridinium, 1-(2-oxo-2-phenylethyl)-, bromide (1:1)
  • Pyridinium, 1-phenacyl-, bromide
  • Pyridinium, 1-(2-oxo-2-phenylethyl)-, bromide
  • 1-Phenacylpyridinium bromide
  • N-Phenacylpyridinium bromide
  • N-(2-Phenyl-2-oxoethyl)pyridinium bromide
  • 1-(2-Oxo-2-phenylethyl)pyridinium bromide
  • N-(Benzoylmethyl)pyridinium bromide
  • N-(2-Oxo-2-phenylethyl)pyridinium bromide

Work with Phenacylpyridinium bromide

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

Acetonylpyridinium bromide17282-41-650 % similar 1,4-Diphenyl-1,4-butanedione495-71-650 % similar Phenacyltriphenylphosphonium bromide6048-29-950 % similar 1,6-Diphenyl-1,6-hexanedione3375-38-047 % similar 2-Aminoacetophenone613-89-847 % similar 2-Fluoro-1-phenylethanone450-95-345 % similar Phenacyl chloride532-27-445 % similar Propiophenone93-55-045 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook