chempirical

4-Bromo-2-pyridinecarbonitrile

C6H3BrN2CAS 62150-45-2183.01 g/mol

Open in Covalent MOL file
NBrN
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

Identifiers

CAS number
62150-45-2
SMILES
N#Cc1cc(Br)ccn1
InChIKey
CZXDCTUSFIKLIJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrN2/c7-5-1-2-9-6(3-5)4-8/h1-3H

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Names and synonyms

3 names
  • 2-Pyridinecarbonitrile, 4-bromo-
  • 4-Bromopicolinonitrile
  • 4-Bromo-2-cyanopyridine

Work with 4-Bromo-2-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

2,4-Pyridinedicarbonitrile29181-50-859 % similar 4-Methyl-2-pyridinecarbonitrile1620-76-455 % similar 4-Chloro-2-cyanopyridine19235-89-355 % similar 4-Formyl-2-pyridinecarbonitrile131747-70-150 % similar 4,4′-Dibromo-2,2′-bipyridine18511-71-250 % similar 4-Bromo-6-methyl-2-pyridinecarbonitrile886372-53-847 % similar 4-Bromo-2-fluoropyridine128071-98-745 % similar 3-Bromobenzonitrile6952-59-644 % 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

Elsewhere

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