5-Bromopyridine-3-sulfonyl chloride

C₅H₃BrClNO₂SCAS 65001-21-0256.50 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₅H₃BrClNO₂S
Molar mass: 256.50 g/mol
Exact mass: 254.8756 Da
logP: 1.77Crippen estimate
Polar surface area: 47.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage33.3% of notifiers
H332 Harmful if inhaled33.3% of notifiers

Aggregated from 3 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

65001-21-0

SMILES

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

InChIKey

AVILRJQPDYPXFQ-UHFFFAOYSA-N

InChI

InChI=1S/C5H3BrClNO2S/c6-4-1-5(3-8-2-4)11(7,9)10/h1-3H

Weigh it out

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

Work with 5-Bromopyridine-3-sulfonyl 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

3-Bromobenzenesulfonyl chloride2905-24-055 % similar 4-Bromobenzenesulfonyl chloride98-58-852 % similar 5-Bromo-6-chloro-3-pyridinesulfonyl chloride216394-05-749 % similar 3,5-Dibromopyridine625-92-348 % similar 3-Bromo-5-(trifluoromethyl)benzenesulfonyl chloride351003-46-847 % similar Pyridine-3-sulfonyl chloride16133-25-847 % similar 3-Amino-5-bromopyridine13535-01-844 % similar 3-Bromo-5-chloropyridine73583-39-844 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook