chempirical

5-Fluoro-3-pyridinecarbonitrile

C6H3FN2CAS 696-42-4122.10 g/mol

Open in Covalent MOL file
NNF
Aryl halideNitrile

Properties

Molecular formula
C6H3FN2
Molar mass
122.10 g/mol
Exact mass
122.0280 Da
logP
1.09Crippen estimate
Polar surface area
36.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
696-42-4
SMILES
N#Cc1cncc(F)c1
InChIKey
LQJWCPZRNHAVJD-UHFFFAOYSA-N
InChI
InChI=1S/C6H3FN2/c7-6-1-5(2-8)3-9-4-6/h1,3-4H

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Names and synonyms

6 names
  • 3-Pyridinecarbonitrile, 5-fluoro-
  • Nicotinonitrile, 5-fluoro-
  • 5-Fluoro-3-cyanopyridine
  • 5-Fluoropyridine-3-carbonitrile
  • 5-Fluoronicotinonitrile
  • 3-Cyano-5-fluoropyridine

Work with 5-Fluoro-3-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

3,5-Difluorobenzonitrile64248-63-158 % similar 5-Methyl-3-pyridinecarbonitrile42885-14-353 % similar 3-Fluorobenzonitrile403-54-352 % similar 3-Bromo-5-fluorobenzonitrile179898-34-147 % similar 4-Fluorobenzonitrile1194-02-146 % similar 5-Fluoro-3-pyridinemethanol22620-32-244 % similar 5-Fluoro-2-pyrimidinecarbonitrile38275-55-743 % similar 3-Fluoro-5-iodopyridine757950-13-343 % similar

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

Same formula

3-Fluoro-4-pyridinecarbonitrile113770-88-0 2-Fluoro-3-pyridinecarbonitrile3939-13-7

Elsewhere

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