3-Acetyl-2-chloropyridine

C7H6ClNOCAS 55676-21-6155.58 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

Warning
Irritant (GHS07)

Aggregated from 43 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
55676-21-6
SMILES
CC(=O)C1=C(N=CC=C1)Cl
InChIKey
WIWIOUAFBHZLNQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClNO/c1-5(10)6-3-2-4-9-7(6)8/h2-4H,1H3

Weigh it out

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

Work with 3-Acetyl-2-chloropyridine

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-Chloronicotinoyl chloride49609-84-961 % similar 2-Chloronicotinic acid2942-59-859 % similar 1-(2-Aminopyridin-3-yl)ethan-1-one65326-33-259 % similar Methyl 2-chloronicotinate40134-18-758 % similar Ethyl chloronicotinate1452-94-454 % similar 1,2-Diacetylbenzene704-00-752 % similar 2′-Chloroacetophenone2142-68-952 % similar 2-Chloronicotinamide10366-35-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-5-chlorobenzaldehyde20028-53-9 1-(2-Chloro-pyridin-4-yl)-ethanone23794-15-2 2-Chlorobenzaldehyde oxime3717-28-0 2-Chloro-5-acetylpyridine55676-22-7 2-Chlorobenzamide609-66-5 3-Chlorobenzamide618-48-4 4-Chlorobenzamide619-56-7 N-Hydroxybenzenecarboximidoyl chloride698-16-8

Elsewhere

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