5-Bromo-2-chloro-3-pyridinecarbonitrile

C₆H₂BrClN₂CAS 405224-23-9217.45 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₆H₂BrClN₂
Molar mass: 217.45 g/mol
Exact mass: 215.9090 Da
logP: 2.37Crippen estimate
Polar surface area: 36.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

405224-23-9

SMILES

N#Cc1cc(Br)cnc1Cl

InChIKey

MQOHJAYYYVQBSH-UHFFFAOYSA-N

InChI

InChI=1S/C6H2BrClN2/c7-5-1-4(2-9)6(8)10-3-5/h1,3H

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Names and synonyms

3 names

3-Pyridinecarbonitrile, 5-bromo-2-chloro-
5-Bromo-2-chloronicotinonitrile
5-Bromo-2-chloropyridine-3-carbonitrile

Work with 5-Bromo-2-chloro-3-pyridinecarbonitrile

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

2-Chloro-5-iodo-3-pyridinecarbonitrile766515-34-859 % similar 5-Bromo-2-chlorobenzonitrile57381-44-949 % similar 5-Bromo-2-pyrimidinecarbonitrile38275-57-947 % similar 5-Bromo-3-fluoro-2-pyridinecarbonitrile886373-28-046 % similar 4-Bromo-2-chlorobenzonitrile154607-01-944 % similar 5-Bromo-3-(trifluoromethyl)-2-pyridinecarbonitrile1214377-57-743 % similar 5-Bromo-2-iodobenzonitrile121554-10-741 % similar 5-Bromo-2-methylbenzonitrile156001-51-341 % similar

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

Elsewhere

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