chempirical

4-Cyano-2-fluoropyridine

C6H3FN2CAS 3939-14-8122.10 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
3939-14-8
SMILES
C1=CN=C(C=C1C#N)F
InChIKey
DYQMGPSBUBTNJZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H3FN2/c7-6-3-5(4-8)1-2-9-6/h1-3H

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

Names and synonyms

1 names
  • 2-Fluoroisonicotinonitrile

Work with 4-Cyano-2-fluoropyridine

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-Bromo-4-cyanopyridine10386-27-360 % similar 2,4-Pyridinedicarbonitrile29181-50-859 % similar 4-Cyano-2-methylpyridine2214-53-155 % similar 2-Chloro-4-cyanopyridine33252-30-155 % similar 2-Amino-4-cyanopyridine42182-27-455 % similar 2,4-Difluoropyridine34941-90-748 % similar 4-Cyanopyridine100-48-146 % similar 4-Bromo-2-fluoropyridine128071-98-745 % similar

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

Same formula

3-Fluoro-4-pyridinecarbonitrile113770-88-0 2-Cyano-5-fluoropyridine327056-62-2 2-Fluoropyridine-5-carbonitrile3939-12-6 2-Fluoro-3-pyridinecarbonitrile3939-13-7 5-Fluoro-3-pyridinecarbonitrile696-42-4

Elsewhere

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