2,6-Diacetylpyridine

C9H9NO2CAS 1129-30-2163.18 g/mol

Open in Covalent MOL file
OON
Ketone

Properties

Molecular formula
C9H9NO2
Molar mass
163.18 g/mol
Exact mass
163.0633 Da
Melting point
79 °C (sublimes)
Boiling point
126 °C (at 6 Torr)
logP
1.49Crippen estimate
Polar surface area
47.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 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
1129-30-2
SMILES
CC(=O)c1cccc(C(C)=O)n1
InChIKey
BEZVGIHGZPLGBL-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO2/c1-6(11)8-4-3-5-9(10-8)7(2)12/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

5 names
  • Ethanone, 1,1′-(2,6-pyridinediyl)bis-
  • Pyridine, 2,6-diacetyl-
  • 1,1′-(2,6-Pyridinediyl)bis[ethanone]
  • NSC 63355
  • 1-(6-Acetylpyridin-2-yl)ethanone

Work with 2,6-Diacetylpyridine

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

1-(6-Methyl-2-pyridinyl)ethanone6940-57-473 % similar 2-Acetyl-6-bromopyridine49669-13-870 % similar 2-Acetylpyridine1122-62-959 % similar 1-(Pyridazin-3-yl)ethan-1-one1122-63-057 % similar 1-(2-Quinoxalinyl)ethanone25594-62-152 % similar 1-[2-(Methylsulfanyl)pyrimidin-4-yl]ethan-1-one496863-48-050 % similar 1,3-Diacetylbenzene6781-42-650 % similar Dimethyl 2,6-pyridinedicarboxylate5453-67-848 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Phenyl-1,2-propanedione 2-oxime119-51-7 4-Acetamidobenzaldehyde122-85-0 (3R,4S)-3-Hydroxy-4-phenyl-2-azetidinone132127-34-5 2-Hydroxy-7,8-dihydro-5(6H)-quinolinone15450-69-8 (±)-Indoline-2-carboxylic acid16851-56-2 2,6-Dimethoxybenzonitrile16932-49-3 2,5-Dimethyl-β-oxo-3-furanpropanenitrile175276-62-7 3,5-Dimethoxybenzonitrile19179-31-8

Elsewhere

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