2-Chloro-5-acetylpyridine

C₇H₆ClNOCAS 55676-22-7155.58 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₇H₆ClNO
Molar mass: 155.58 g/mol
Exact mass: 155.0138 Da
logP: 1.94Crippen estimate
Polar surface area: 30.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed25% of notifiers
H302 Harmful if swallowed50% of notifiers
H311 Toxic in contact with skin25% of notifiers
H312 Harmful in contact with skin25% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation75% of notifiers
H331 Toxic if inhaled25% of notifiers
H332 Harmful if inhaled25% of notifiers
H335 May cause respiratory irritation25% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

55676-22-7

SMILES

CC(=O)C1=CN=C(C=C1)Cl

InChIKey

UXSNZYGTQTXRAD-UHFFFAOYSA-N

InChI

InChI=1S/C7H6ClNO/c1-5(10)6-2-3-7(8)9-4-6/h2-4H,1H3

Weigh it out

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

Names and synonyms

1 names

1-(6-Chloropyridin-3-yl)ethan-1-one

Work with 2-Chloro-5-acetylpyridine

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-3-pyridinyl)ethanone36357-38-759 % similar 6-Chloronicotinoyl chloride58757-38-359 % similar 1-(6-Bromo-pyridin-3-yl)-ethanone139042-59-458 % similar 6-Chloronicotinic acid5326-23-858 % similar Methyl 6-chloropyridine-3-carboxylate73781-91-657 % similar 5-Acetyl-2-methoxypyridine213193-32-954 % similar 1-[6-(Trifluoromethyl)pyridin-3-yl]ethanone358780-14-054 % similar 6-Chloropyridine-3-carbohydrazide168893-66-153 % 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 3-Acetyl-2-chloropyridine55676-21-6 2-Chlorobenzamide609-66-5 3-Chlorobenzamide618-48-4 4-Chlorobenzamide619-56-7 N-Hydroxybenzenecarboximidoyl chloride698-16-8

Elsewhere

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