chempirical

3-Bromopyridine-2-carbonitrile

C6H3BrN2CAS 55758-02-6183.01 g/mol

Open in Covalent MOL file
NNBr
Aryl halideNitrile

Properties

Molecular formula
C6H3BrN2
Molar mass
183.01 g/mol
Exact mass
181.9480 Da
logP
1.72Crippen estimate
Polar surface area
36.7 Ų
H-bond donors / acceptors
0 / 2
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
55758-02-6
SMILES
C1=CC(=C(N=C1)C#N)Br
InChIKey
HCOPIUVJCIZALB-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrN2/c7-5-2-1-3-9-6(5)4-8/h1-3H

Weigh it out

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Names and synonyms

1 names
  • 3-Bromo-2-cyanopyridine

Work with 3-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

Pyridine-2,3-dicarbonitrile17132-78-461 % similar 3-Methyl-2-pyridinecarbonitrile20970-75-657 % similar 3-Chloropyridine-2-carbonitrile38180-46-057 % similar 3-Amino-2-pyridinecarbonitrile42242-11-557 % similar 3-Iodopyridine-2-carbonitrile827616-52-457 % similar 3-Hydroxy-2-pyridinecarbonitrile932-35-457 % similar 2,3-Dicyanopyrazine13481-25-952 % similar 2-Cyanopyridin-3-ylboronic acid874290-88-752 % 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 2-Bromo-5-cyanopyridine139585-70-9 3-Bromo-4-cyanopyridine13958-98-0 4-Bromo-3-pyridinecarbonitrile154237-70-4 2-Bromopyridine-3-carbonitrile20577-26-8 5-Bromonicotinonitrile35590-37-5 4-Bromo-2-pyridinecarbonitrile62150-45-2

Elsewhere

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