chempirical

6-Fluoro-3,4-dihydro-3-oxo-2-pyrazinecarbonitrile

C5H2FN3OCAS 356783-31-8139.09 g/mol

Open in Covalent MOL file
NNFNHO
Aryl halideNitrilePhenol

Properties

Molecular formula
C5H2FN3O
Molar mass
139.09 g/mol
Exact mass
139.0182 Da
logP
0.19Crippen estimate
Polar surface area
69.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
0

Identifiers

CAS number
356783-31-8
SMILES
N#Cc1nc(F)cnc1O
InChIKey
LJZHACRGZWYTAX-UHFFFAOYSA-N
InChI
InChI=1S/C5H2FN3O/c6-4-2-8-5(10)3(1-7)9-4/h2H,(H,8,10)

Weigh it out

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

Names and synonyms

4 names
  • 6-Fluoro-3-oxo-3,4-dihydro-2-pyrazinecarbonitrile
  • 6-Fluoro-3-hydroxypyrazine-2-carbonitrile
  • 2-Pyrazinecarbonitrile, 6-fluoro-3,4-dihydro-3-oxo-
  • Pyrazinecarbonitrile, 6-fluoro-3,4-dihydro-3-oxo-

Work with 6-Fluoro-3,4-dihydro-3-oxo-2-pyrazinecarbonitrile

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

Favipiravir259793-96-941 % similar 5-Bromo-3-fluoro-2-pyridinecarbonitrile886373-28-036 % similar 5-Fluoro-2-pyrimidinecarbonitrile38275-55-735 % similar 3-Cyano-2-pyridone20577-27-935 % similar 3-Hydroxy-2-pyridinecarbonitrile932-35-435 % similar 1,2-Dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile5444-02-035 % similar 3,5-Dichloro-2-pyrazinecarbonitrile313339-92-334 % similar Hexaazatriphenylenehexacabonitrile105598-27-433 % similar

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

Elsewhere

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