2-Oxo-6-phenyl-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile

C13H7F3N2OCAS 3335-44-2264.21 g/mol

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OHNNFFF
Alkyl halideNitrile

Properties

Molecular formula
C13H7F3N2O
Molar mass
264.21 g/mol
Exact mass
264.0510 Da
logP
2.93Crippen estimate
Polar surface area
56.6 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
3335-44-2
SMILES
C1=CC=C(C=C1)C2=CC(=C(C(=O)N2)C#N)C(F)(F)F
InChIKey
OOVASHBTYQTRFA-UHFFFAOYSA-N
InChI
InChI=1S/C13H7F3N2O/c14-13(15,16)10-6-11(8-4-2-1-3-5-8)18-12(19)9(10)7-17/h1-6H,(H,18,19)

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Names and synonyms

1 names
  • 2-Oxo-6-phenyl-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile

Work with 2-Oxo-6-phenyl-4-(trifluoromethyl)-1,2-dihydro-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-6-(2-thienyl)-4-trifluoromethyl-2(1H)-pyridone22123-11-167 % similar 6-Methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile654-49-960 % similar 2,6-Dihydroxy-4-(trifluoromethyl)nicotinonitrile3335-46-447 % similar 2,6-Bis(trifluoromethyl)benzonitrile25753-25-745 % similar 2-Fluoro-6-(trifluoromethyl)benzonitrile133116-83-340 % similar 2-(Trifluoromethyl)benzonitrile447-60-938 % similar 2,6-Dichloro-4-(trifluoromethyl)nicotinonitrile13600-42-537 % similar 2-Hydroxy-3-trifluoromethylpyridine22245-83-636 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-((5-(Trifluoromethyl)pyridin-2-yl)oxy)benzonitrile175277-01-7

Elsewhere

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