2-Bromo-1-(2-chloropyridin-4-yl)ethanone

C₇H₅BrClNOCAS 23794-16-3234.48 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ketone

Properties

Molecular formula: C₇H₅BrClNO
Molar mass: 234.48 g/mol
Exact mass: 232.9243 Da
logP: 2.31Crippen estimate
Polar surface area: 30.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage50% of notifiers
H332 Harmful if inhaled50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501

Identifiers

CAS number

23794-16-3

SMILES

C1=CN=C(C=C1C(=O)CBr)Cl

InChIKey

BZWBRLWSWBQIBX-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrClNO/c8-4-6(11)5-1-2-10-7(9)3-5/h1-3H,4H2

Weigh it out

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

Work with 2-Bromo-1-(2-chloropyridin-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-Chloroisonicotinamide100859-84-556 % similar 2-Chloropyridine-4-carbonyl chloride65287-34-556 % similar 1-(2-Chloro-pyridin-4-yl)-ethanone23794-15-254 % similar 2-Bromo-1-(3,4-dichlorophenyl)ethanone2632-10-254 % similar 2-Bromo-1-(3-chlorophenyl)ethanone41011-01-254 % similar 2-Chloroisonicotinic acid6313-54-854 % similar 3-Bromophenacyl bromide18523-22-351 % similar 4-(Bromoacetyl)pyridine hydrobromide5349-17-751 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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