chempirical

3-Fluoro-4-pyridinecarbonitrile

C6H3FN2CAS 113770-88-0122.10 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
113770-88-0
SMILES
N#Cc1ccncc1F
InChIKey
RFQHDTRSEWCXJP-UHFFFAOYSA-N
InChI
InChI=1S/C6H3FN2/c7-6-4-9-2-1-5(6)3-8/h1-2,4H

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Names and synonyms

2 names
  • 4-Pyridinecarbonitrile, 3-fluoro-
  • 3-Fluoroisonicotinonitrile

Work with 3-Fluoro-4-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-Fluorobenzonitrile394-47-854 % similar 4-(Trifluoromethyl)-3-pyridinecarbonitrile13600-43-650 % similar 4-Bromo-3-pyridinecarbonitrile154237-70-450 % similar 4-Methyl-3-pyridinecarbonitrile5444-01-950 % similar 2-Fluoro-1,4-benzenedicarbonitrile1897-53-647 % similar 2,4-Difluorobenzonitrile3939-09-147 % similar 2-Fluoro-4-hydroxybenzonitrile82380-18-545 % similar 4-Bromo-2-fluorobenzonitrile105942-08-344 % similar

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

Same formula

2-Fluoro-3-pyridinecarbonitrile3939-13-7 5-Fluoro-3-pyridinecarbonitrile696-42-4

Elsewhere

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