chempirical

3-Cyano-6-(2-thienyl)-4-trifluoromethyl-2(1H)-pyridone

C11H5F3N2OSCAS 22123-11-1270.23 g/mol

Open in Covalent MOL file
SOHNNFFF
Alkyl halideNitrile

Properties

Molecular formula
C11H5F3N2OS
Molar mass
270.23 g/mol
Exact mass
270.0075 Da
logP
2.99Crippen estimate
Polar surface area
56.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

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

Identifiers

CAS number
22123-11-1
SMILES
C1=CSC(=C1)C2=CC(=C(C(=O)N2)C#N)C(F)(F)F
InChIKey
UBBGOCKMIMCHLZ-UHFFFAOYSA-N
InChI
InChI=1S/C11H5F3N2OS/c12-11(13,14)7-4-8(9-2-1-3-18-9)16-10(17)6(7)5-15/h1-4H,(H,16,17)

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Names and synonyms

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

Work with 3-Cyano-6-(2-thienyl)-4-trifluoromethyl-2(1H)-pyridone

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-Oxo-6-phenyl-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile3335-44-267 % similar 6-Methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile654-49-954 % similar 2,6-Dihydroxy-4-(trifluoromethyl)nicotinonitrile3335-46-442 % similar 2,6-Bis(trifluoromethyl)benzonitrile25753-25-740 % similar 2-Fluoro-6-(trifluoromethyl)benzonitrile133116-83-336 % similar 3-(2-Thienyl)-5-(trifluoromethyl)isoxazole175203-89-136 % similar Mk -1439 intermediate1155846-86-834 % similar 2-(Trifluoromethyl)benzonitrile447-60-934 % similar

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

Elsewhere

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