chempirical

3-Bromo-4-chloropyridine

C5H3BrClNCAS 36953-42-1192.44 g/mol

Open in Covalent MOL file
NClBr
Aryl halide

Properties

Molecular formula
C5H3BrClN
Molar mass
192.44 g/mol
Exact mass
190.9137 Da
logP
2.50Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
36953-42-1
SMILES
C1=CN=CC(=C1Cl)Br
InChIKey
QADXKWUCCGPQNR-UHFFFAOYSA-N
InChI
InChI=1S/C5H3BrClN/c6-4-3-8-2-1-5(4)7/h1-3H

Weigh it out

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

Work with 3-Bromo-4-chloropyridine

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-chloropyridine hydrochloride181256-18-8Salt

Similar compounds

3,4-Dibromopyridine13534-90-258 % similar 3-Bromo-4,5-dichloropyridine1001056-83-250 % similar 3-Bromo-4-fluoropyridine116922-60-250 % similar 4-Amino-3-bromopyridine13534-98-050 % similar 4-Chloro-3-methylpyridine1681-36-350 % similar 4-Chloro-3-pyridinamine20511-15-350 % similar 4-Chloro-3-fluoropyridine2546-56-750 % similar 3-Bromo-4-methylpyridine3430-22-650 % similar

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

Same formula

2-Bromo-4-chloropyridine22918-01-0 2-Bromo-5-chloropyridine40473-01-6 2-Bromo-6-chloropyridine5140-72-7 3-Bromo-2-chloropyridine52200-48-3

Elsewhere

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