6-Bromopyridine-2-carbonitrile

C₆H₃BrN₂CAS 122918-25-6183.01 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₆H₃BrN₂
Molar mass: 183.01 g/mol
Exact mass: 181.9480 Da
logP: 1.72Crippen estimate
Polar surface area: 36.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

122918-25-6

SMILES

C1=CC(=NC(=C1)Br)C#N

InChIKey

HNEBPTAKURBYRM-UHFFFAOYSA-N

InChI

InChI=1S/C6H3BrN2/c7-6-3-1-2-5(4-8)9-6/h1-3H

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Names and synonyms

1 names

6-Bromo-2-pyridinecarbonitrile

Work with 6-Bromopyridine-2-carbonitrile

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

2,6-Pyridinedicarbonitrile2893-33-670 % similar 6-Chloro-2-pyridinecarbonitrile33252-29-857 % similar 2,6-Dibromopyridine626-05-157 % similar 2-Bromo-6-phenylpyridine39774-26-047 % similar 2-Cyanopyridine100-70-946 % similar 2-Bromo-6-chloropyridine5140-72-746 % similar 2-Quinolinecarbonitrile1436-43-745 % similar 2-Amino-6-bromopyridine19798-81-345 % similar

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

Same formula

2-Bromo-4-cyanopyridine10386-27-3 2-Bromo-5-cyanopyridine139585-70-9 3-Bromo-4-cyanopyridine13958-98-0 4-Bromo-3-pyridinecarbonitrile154237-70-4 4-Bromo-2-pyridinecarbonitrile62150-45-2

Elsewhere

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