5-Bromopyridine-2-carbonyl chloride

C₆H₃BrClNOCAS 137178-88-2220.45 g/mol

Open in Covalent MOL file

Acyl halide Aryl halide

Properties

Molecular formula: C₆H₃BrClNO
Molar mass: 220.45 g/mol
Exact mass: 218.9087 Da
logP: 2.22Crippen estimate
Polar surface area: 30.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage100% of notifiers

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

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

137178-88-2

SMILES

C1=CC(=NC=C1Br)C(=O)Cl

InChIKey

IJJINPZOASSMGD-UHFFFAOYSA-N

InChI

InChI=1S/C6H3BrClNO/c7-4-1-2-5(6(8)10)9-3-4/h1-3H

Weigh it out

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

Names and synonyms

1 names

5-Bromo-pyridine-2-carbonyl chloride

Work with 5-Bromopyridine-2-carbonyl chloride

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-(5-Bromopyridin-2-yl)ethan-1-one214701-49-258 % similar 5-Bromopyridine-2-carboxylic acid30766-11-158 % similar 5-Bromopyridine-2-carboxamide 97%5-bromopicolinamide90145-48-558 % similar Methyl 5-bromopyridine-2-carboxylate29682-15-353 % similar 4-Bromobenzoyl chloride586-75-452 % similar Ethyl 5-bromopicolinate77199-09-849 % similar Picolinoyl chloride hydrochloride39901-94-544 % similar 2-Pyrazinecarbonyl chloride19847-10-044 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromonicotinoyl chloride39620-02-5

Elsewhere

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