chempirical

1-(6-Methyl-3-pyridinyl)ethanone

C8H9NOCAS 36357-38-7135.17 g/mol

Open in Covalent MOL file
ON
Ketone

Properties

Molecular formula
C8H9NO
Molar mass
135.17 g/mol
Exact mass
135.0684 Da
Density
1.0661 g/mL (at 20 °C)
Melting point
17.6 °C
Boiling point
231–232 °C
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 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
36357-38-7
SMILES
CC(=O)c1ccc(C)nc1
InChIKey
PVRYOKQFLBSILA-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO/c1-6-3-4-8(5-9-6)7(2)10/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

11 names
  • Ethanone, 1-(6-methyl-3-pyridinyl)-
  • Ketone, methyl 6-methyl-3-pyridyl
  • 2-Methyl-5-acetylpyridine
  • 5-Acetyl-2-methylpyridine
  • 5-Acetyl-2-picoline
  • NSC 27972
  • 1-(6-Methylpyridin-3-yl)ethanone
  • 3-Acetyl-6-methylpyridine
  • 1-(6-Methyl-3-pyridyl)-1-ethanone
  • 6-Methyl-3-acetylpyridine
  • 1-(6-Methylpyridin-3-yl)ethan-1-one

Work with 1-(6-Methyl-3-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-(6-Bromo-pyridin-3-yl)-ethanone139042-59-459 % similar 6-Methylpyridine-3-carboxylic acid3222-47-759 % similar 2-Chloro-5-acetylpyridine55676-22-759 % similar 5-Acetyl-2-methoxypyridine213193-32-956 % similar 1-[6-(Trifluoromethyl)pyridin-3-yl]ethanone358780-14-056 % similar Methyl 6-methylnicotinate5470-70-256 % similar 1,4-Diacetylbenzene1009-61-654 % similar Ethyl 6-methylnicotinate21684-59-351 % 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 2,3-Dihydro-1-benzofuran-5-amine42933-43-7 o-Toluamide527-85-5 2'-Aminoacetophenone551-93-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook