chempirical

2-Acetylpyridine

C7H7NOCAS 1122-62-9121.14 g/mol

Open in Covalent MOL file
ON
Ketone

Properties

Molecular formula
C7H7NO
Molar mass
121.14 g/mol
Exact mass
121.0528 Da
Density
1.077–1.084 g/mL
Melting point
82–84 °C
Boiling point
192 °C
logP
1.28Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 438 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
1122-62-9
SMILES
CC(=O)c1ccccn1
InChIKey
AJKVQEKCUACUMD-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO/c1-6(9)7-4-2-3-5-8-7/h2-5H,1H3

Weigh it out

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

Names and synonyms

13 names · show all
  • Ethanone, 1-(2-pyridinyl)-
  • Ketone, methyl 2-pyridyl
  • 1-(2-Pyridinyl)ethanone
  • 2-Pyridyl methyl ketone
  • Methyl 2-pyridyl ketone
  • Methyl 2-pyridinyl ketone
  • α-Acetylpyridine
  • NSC 15043
  • Pyridin-2-yl methyl ketone
  • 1-(2-Pyridyl)-1-ethanone
  • 1-(Pyridin-2-yl)ethan-1-one
  • 1-(2-Pyridyl)ethanone
  • 1-(Pyridn-2-yl)ethanone

Work with 2-Acetylpyridine

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

2,6-Diacetylpyridine1129-30-259 % similar 2-Pyridyl ketone19437-26-459 % similar 2,2′-Pyridil492-73-959 % similar 1-(Pyridazin-3-yl)ethan-1-one1122-63-057 % similar 1-(Pyrimidin-2-yl)ethan-1-one53342-27-154 % similar 1,3-Di(2-pyridyl)-1,3-propanedione10198-89-753 % similar Acetylpyrazine22047-25-253 % similar Picolinic acid98-98-653 % similar

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

Same formula

Formanilide103-70-8 4-Acetylpyridine1122-54-9 6-Methyl-2-pyridinecarboxaldehyde1122-72-1 3-Acetylpyridine350-03-8 4-Methylnicotinaldehyde51227-28-2 2-Aminobenzaldehyde529-23-7 6-Methyl-3-pyridinecarboxaldehyde53014-84-9 4-Methylpyridine-2-carbaldehyde53547-60-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia