3-Bromo-4-chloropyridine hydrochloride

C₅H₄BrCl₂NCAS 181256-18-8228.90 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₄BrCl₂N
Molar mass: 228.90 g/mol
Exact mass: 226.8904 Da
logP: 2.92Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

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

181256-18-8

SMILES

C1=CN=CC(=C1Cl)Br.Cl

InChIKey

ZDKWUBNGKYIHMH-UHFFFAOYSA-N

InChI

InChI=1S/C5H3BrClN.ClH/c6-4-3-8-2-1-5(4)7;/h1-3H;1H

Weigh it out

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

Names and synonyms

1 names

3-Bromo-4-chloropyridine hcl

Work with 3-Bromo-4-chloropyridine hydrochloride

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

3-Bromo-4-chloropyridine36953-42-1Free base

Similar compounds

4-Chloro-3-fluoropyridine hcl119229-74-255 % similar 4-Chloro-3-methylpyridine hydrochloride19524-08-455 % similar 3,4-Dibromopyridine13534-90-252 % similar 3,4-Dichloropyridine55934-00-452 % similar 4-Bromo-3-fluoropyridine hydrochloride1159811-44-550 % similar 4-Chloro-3-nitropyridine hydrochloride54079-68-447 % similar 3-Bromo-4,5-dichloropyridine1001056-83-245 % similar 3-Bromo-4-fluoropyridine116922-60-245 % similar

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

Elsewhere

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