5-Bromo-3-fluoro-2-pyridinecarbonitrile

C6H2BrFN2CAS 886373-28-0201.00 g/mol

Open in Covalent MOL file
NNBrF
Aryl halideNitrile

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 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, P405, P501

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

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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

2-Cyano-3,5-difluoropyridine298709-29-263 % similar 5-Bromo-3-methylpyridine-2-carbonitrile156072-86-559 % similar 5-Bromo-3-chloropyridine-2-carbonitrile945557-04-059 % similar 5-Bromo-3-(trifluoromethyl)-2-pyridinecarbonitrile1214377-57-758 % similar 4-Bromo-2,6-difluorobenzonitrile123843-67-453 % similar 2,5-Dibromo-3-fluoropyridine156772-60-053 % similar 5-Bromo-2,3-difluoropyridine89402-44-853 % similar 5-Bromo-3-nitropyridine-2-carbonitrile573675-25-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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