chempirical

5-Bromopyridine-3-sulfonyl chloride

C5H3BrClNO2SCAS 65001-21-0256.50 g/mol

Open in Covalent MOL file
NBrSOOCl
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 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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

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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 3-Pyridinesulfonyl 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

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