chempirical

1-(2-Chloro-pyridin-4-yl)-ethanone

C7H6ClNOCAS 23794-15-2155.58 g/mol

Open in Covalent MOL file
ONCl
Aryl halideKetone

Properties

Molecular formula
C7H6ClNO
Molar mass
155.58 g/mol
Exact mass
155.0138 Da
logP
1.94Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
23794-15-2
SMILES
CC(=O)C1=CC(=NC=C1)Cl
InChIKey
ZJCGPQZERFBGSM-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClNO/c1-5(10)6-2-3-9-7(8)4-6/h2-4H,1H3

Weigh it out

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

Names and synonyms

1 names
  • 1-(2-Chloropyridin-4-yl)ethan-1-one

Work with 1-(2-Chloro-pyridin-4-yl)-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-Chloroisonicotinamide100859-84-561 % similar 2-Chloroisonicotinic acid6313-54-859 % similar 2-Bromo-1-(2-chloropyridin-4-yl)ethanone23794-16-354 % similar 1,3-Diacetylbenzene6781-42-653 % similar 4-Acetylpyridine1122-54-952 % similar 3′,4′-Dichloroacetophenone2642-63-950 % similar 1-(3-Chlorophenyl)ethanone99-02-550 % similar 1-(4-Chloro-3-methylphenyl)ethanone37074-39-846 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Amino-5-chlorobenzaldehyde20028-53-9 2-Chlorobenzaldehyde oxime3717-28-0 2-Chlorobenzamide609-66-5 3-Chlorobenzamide618-48-4 4-Chlorobenzamide619-56-7

Elsewhere

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