5-Bromo-3-fluoro-2-pyridinecarbonitrile

C₆H₂BrFN₂CAS 886373-28-0201.00 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₆H₂BrFN₂
Molar mass: 201.00 g/mol
Exact mass: 199.9385 Da
Melting point: 103–105 °C
logP: 1.85Crippen estimate
Polar surface area: 36.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

886373-28-0

SMILES

N#Cc1ncc(Br)cc1F

InChIKey

HMURQOFNWZWERT-UHFFFAOYSA-N

InChI

InChI=1S/C6H2BrFN2/c7-4-1-5(8)6(2-9)10-3-4/h1,3H

Weigh it out

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

Names and synonyms

3 names

2-Pyridinecarbonitrile, 5-bromo-3-fluoro-
5-Bromo-3-fluoropyridine-2-carbonitrile
5-Bromo-3-fluoropicolinonitrile

Work with 5-Bromo-3-fluoro-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

5-Bromo-3-(trifluoromethyl)-2-pyridinecarbonitrile1214377-57-758 % similar 4-Bromo-2,6-difluorobenzonitrile123843-67-453 % similar 5-Bromo-2,3-difluoropyridine89402-44-853 % similar 4-Bromo-2-fluorobenzonitrile105942-08-349 % similar 5-Bromo-2-pyrimidinecarbonitrile38275-57-947 % similar 2-Methoxy-3-fluoro-5-bromopyridine124432-70-846 % similar 5-Bromo-2-chloro-3-pyridinecarbonitrile405224-23-946 % similar 5-Bromo-2-fluorobenzonitrile179897-89-344 % similar

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

Elsewhere

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