chempirical

1-(6-Methyl-2-pyridinyl)ethanone

C8H9NOCAS 6940-57-4135.17 g/mol

Open in Covalent MOL file
ON
Ketone

Properties

Molecular formula
C8H9NO
Molar mass
135.17 g/mol
Exact mass
135.0684 Da
Boiling point
82–83 °C (at 11 Torr)
logP
1.59Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
6940-57-4
SMILES
CC(=O)c1cccc(C)n1
InChIKey
FPQMUQPPAYCAME-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO/c1-6-4-3-5-8(9-6)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-(6-methyl-2-pyridinyl)-
  • Ketone, methyl 6-methyl-2-pyridyl
  • 2-Acetyl-6-methylpyridine
  • 6-Methyl-2-acetylpyridine
  • NSC 60153
  • 1-(6-Methylpyridin-2-yl)ethanone
  • 1-(6-Methylpyridin-2-yl)ethan-1-one

Work with 1-(6-Methyl-2-pyridinyl)ethanone

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

2,6-Diacetylpyridine1129-30-273 % similar 6-Methylpicolinic acid934-60-159 % similar 6-Methylpyridine-2-carboxylic acid methyl ester13602-11-456 % similar 2,6-Lutidine108-48-550 % similar 2-Acetylpyridine1122-62-950 % similar 1-(Pyridazin-3-yl)ethan-1-one1122-63-048 % similar 2-Acetyl-4-methylpyridine59576-26-046 % similar 6,6′-Dimethyl-2,2′-bipyridine4411-80-745 % 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 3-Propionylpyridine1570-48-5 N-(4-Methylphenyl)formamide3085-54-9 1-(6-Methyl-3-pyridinyl)ethanone36357-38-7 o-Toluamide527-85-5 2′-Aminoacetophenone551-93-9

Elsewhere

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