chempirical

4-Pyridylacetone

C8H9NOCAS 6304-16-1135.17 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
76 °C (at 0.1 Torr)
logP
1.21Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
6304-16-1
SMILES
CC(=O)Cc1ccncc1
InChIKey
ILRVKOYYFFNXDB-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO/c1-7(10)6-8-2-4-9-5-3-8/h2-5H,6H2,1H3

Weigh it out

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

Names and synonyms

13 names · show all
  • 2-Propanone, 1-(4-pyridinyl)-
  • 2-Propanone, 1-(4-pyridyl)-
  • 2-Propanone, (4-pyridyl)-
  • 1-(4-Pyridinyl)-2-propanone
  • 4-Acetonylpyridine
  • 4-Pyridinylacetone
  • Methyl 4-pyridylmethyl ketone
  • 1-(4-Pyridyl)-2-propanone
  • 4-(2-Oxopropyl)pyridine
  • NSC 42613
  • 1-(Pyridin-4-yl)propan-2-one
  • 1-(4-Pyridyl)-acetone
  • 1-(Pyridin-4-yl)acetone

Work with 4-Pyridylacetone

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

Phenylacetone103-79-763 % similar 4-Hydroxyphenylacetone770-39-859 % similar (4-Fluorophenyl)acetone459-03-057 % similar (4-Chlorophenyl)acetone5586-88-957 % similar 4-Pyridineacetic acid28356-58-353 % similar 4-Methoxyphenylacetone122-84-953 % similar Methyl 4-pyridineacetate29800-89-353 % similar Ethyl 4-pyridineacetate54401-85-350 % 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 2′-Aminoacetophenone551-93-9 2-Acetyl-4-methylpyridine59576-26-0

Elsewhere

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