5-Bromonicotinoyl chloride

C₆H₃BrClNOCAS 39620-02-5220.45 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

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

39620-02-5

SMILES

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

InChIKey

FMDREJRIXNEGEG-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 5-Bromonicotinoyl 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

5-Bromonicotinic acid20826-04-456 % similar 3-Acetyl-5-bromopyridine38940-62-456 % similar 4-Bromobenzoyl chloride586-75-453 % similar 3-Bromobenzoyl chloride1711-09-753 % similar 5-Bromonicotinohydrazide112193-41-651 % similar Methyl 5-bromopyridine-3-carboxylate29681-44-551 % similar 3,5-Dibromopyridine625-92-350 % similar Trimesoyl chloride4422-95-148 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromopyridine-2-carbonyl chloride137178-88-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook