2-Bromo-5-cyanopyridine

C₆H₃BrN₂CAS 139585-70-9183.01 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

139585-70-9

SMILES

C1=CC(=NC=C1C#N)Br

InChIKey

XHYGUDGTUJPSNX-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

6-Bromopyridine-3-carbonitrile

Work with 2-Bromo-5-cyanopyridine

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

[2,2′-Bipyridine]-5,5′-dicarbonitrile1802-29-559 % similar 6-Chloronicotinonitrile33252-28-753 % similar 4-Bromobenzonitrile623-00-746 % similar 2,5-Dibromopyridine624-28-246 % similar 1,4-Dicyanobenzene623-26-746 % similar 5-Cyanopicolinic acid53234-55-244 % similar (6-Bromo-pyridin-3-yl)-methanol122306-01-844 % similar 5-Amino-2-bromopyridine13534-97-943 % similar

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

Same formula

2-Bromo-4-cyanopyridine10386-27-3 6-Bromopyridine-2-carbonitrile122918-25-6 3-Bromo-4-cyanopyridine13958-98-0 4-Bromo-3-pyridinecarbonitrile154237-70-4 4-Bromo-2-pyridinecarbonitrile62150-45-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook