chempirical

2-Fluoro-3-pyridinecarbonitrile

C6H3FN2CAS 3939-13-7122.10 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
Melting point
30 °C
logP
1.09Crippen estimate
Polar surface area
36.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
3939-13-7
SMILES
N#Cc1cccnc1F
InChIKey
USIDQCCXMGJOJM-UHFFFAOYSA-N
InChI
InChI=1S/C6H3FN2/c7-6-5(4-8)2-1-3-9-6/h1-3H

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

Names and synonyms

4 names
  • 3-Pyridinecarbonitrile, 2-fluoro-
  • Nicotinonitrile, 2-fluoro-
  • 2-Fluoronicotinonitrile
  • 3-Cyano-2-fluoropyridine

Work with 2-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-Cyano-2-pyridone20577-27-955 % similar 2-Chloro-3-cyanopyridine6602-54-655 % similar 2-Methoxy-3-pyridinecarbonitrile7254-34-450 % similar 2-Phenoxy-3-pyridinecarbonitrile14178-15-549 % similar 2,3-Difluoropyridine1513-66-248 % similar 2-Fluorobenzonitrile394-47-848 % similar Phthalonitrile91-15-648 % similar 2-Fluoro-3-methylpyridine2369-18-847 % similar

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

Same formula

3-Fluoro-4-pyridinecarbonitrile113770-88-0 5-Fluoro-3-pyridinecarbonitrile696-42-4

Elsewhere

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