2-Acetyl-4-methylpyridine

C8H9NOCAS 59576-26-0135.17 g/mol

Open in Covalent MOL file
ON
Ketone

Properties

Molecular formula
C8H9NO
Molar mass
135.17 g/mol
Exact mass
135.0684 Da
Melting point
33–34 °C
Boiling point
95–97 °C (at 15 Torr)
logP
1.59Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 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
59576-26-0
SMILES
CC(=O)c1cc(C)ccn1
InChIKey
HRVQMQWVGKYDCF-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO/c1-6-3-4-9-8(5-6)7(2)10/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

7 names
  • Ethanone, 1-(4-methyl-2-pyridinyl)-
  • Ketone, methyl 4-methyl-2-pyridyl
  • 1-(4-Methyl-2-pyridinyl)ethanone
  • 1-(4-Methyl-2-pyridyl)-1-ethanone
  • 4-Methyl-2-acetylpyridine
  • 1-(4-Methylpyridin-2-yl)ethanone
  • 1-(4-Methylpyridin-2-yl)ethan-1-one

Work with 2-Acetyl-4-methylpyridine

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-Methylpyridine-2-carboxylic acid4021-08-361 % similar 2-Acetylpyridine1122-62-953 % similar Methyl 2-acetylpyridine-4-carboxylate138715-82-953 % similar 4,4′-Dimethyl-2,2′-bipyridine1134-35-652 % similar Acetylpyrazine22047-25-248 % similar 3′-Methylacetophenone585-74-047 % similar 4′-Methyl[2,2′-bipyridine]-4-carboxylic acid103946-54-946 % similar 1-[2-(Methylsulfanyl)pyrimidin-4-yl]ethan-1-one496863-48-046 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Benzeneacetamide103-81-1 Acetanilide103-84-4 1,5,6,7-Tetrahydro-4H-indol-4-one13754-86-4 1-(3-Pyridyl)propan-1-one1570-48-5 4′-Methylformanilide3085-54-9 1-(6-Methyl-3-pyridinyl)ethanone36357-38-7 2,3-Dihydro-1-benzofuran-5-amine42933-43-7 o-Toluamide527-85-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook