chempirical

5-Bromopyridine-2-carbonyl chloride

C6H3BrClNOCAS 137178-88-2220.45 g/mol

Open in Covalent MOL file
NBrOCl
Acyl halideAryl 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 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

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

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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

4-Bromobenzoyl chloride586-75-452 % similar 2-Pyrazinecarbonyl chloride19847-10-044 % similar 2,6-Pyridinedicarbonyl dichloride3739-94-444 % similar 3-Bromobenzoyl chloride1711-09-743 % similar 2,5-Dibromopyridine624-28-242 % similar 5-Bromo-2-hydroxypyridine13466-38-139 % similar 5-Bromo-2-iodopyridine223463-13-639 % similar 5-Bromo-2-methylpyridine3430-13-539 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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