Molecule record

1-pyridin-4-ylethanone

C7H7NO

121.14 g/mol

Loading structure

Molecular properties

Formula
C7H7NO
Molar mass
121.14 g·mol−1
Exact mass
121.0528 Da
5
PubChem CID
14282

Functional groups

Alkane / alkyl carbon
Aromatic ring
Ketone

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 1-(4-PYRIDINYL)ETHANONE
  • 1-(4-pyridyl)ethanone
  • 1-(pyridin-4-yl)ethan-1-one
  • 1-Pyridin-4-yl-ethanone
  • 1122-54-9
  • 214-350-9
  • 4-Acetyl pyridine
  • 4-Acetylpyridine
Show all 24 synonyms
  • 4-Pyridyl methyl ketone
  • BRN 0107629
  • CS-W008727
  • DTXCID402147
  • DTXSID0022147
  • EINECS 214-350-9
  • EN300-17993
  • Ethanone, 1-(4-pyridinyl)-
  • G47437IOW7
  • HY-Y0179
  • Ketone, methyl 4-pyridyl
  • MFCD00006433
  • Methyl 4-pyridyl ketone
  • NSC-111
  • Pyridine, 4-acetyl-
  • RefChem:517351

Structure identifiers

Canonical SMILES
CC(=O)c1ccncc1
Isomeric SMILES
CC(=O)C1=CC=NC=C1
InChI
InChI=1S/C7H7NO/c1-6(9)7-2-4-8-5-3-7/h2-5H,1H3
InChIKey
WMQUKDQWMMOHSA-UHFFFAOYSA-N
PubChem CID
14282

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 1-pyridin-4-ylethanone; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-pyridin-4-ylethanone; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

Open source record