6-Methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile

C₈H₅F₃N₂OCAS 654-49-9202.14 g/mol

Open in Covalent MOL file

Alkyl halide Nitrile

Properties

Molecular formula: C₈H₅F₃N₂O
Molar mass: 202.14 g/mol
Exact mass: 202.0354 Da
logP: 1.57Crippen estimate
Polar surface area: 56.6 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

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

654-49-9

SMILES

CC1=CC(=C(C(=O)N1)C#N)C(F)(F)F

InChIKey

IMPQPQKUDMOZHV-UHFFFAOYSA-N

InChI

InChI=1S/C8H5F3N2O/c1-4-2-6(8(9,10)11)5(3-12)7(14)13-4/h2H,1H3,(H,13,14)

Weigh it out

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

Work with 6-Methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile

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-pyridinecarbonitrile3335-44-260 % similar 3-Cyano-6-(2-thienyl)-4-trifluoromethyl-2(1H)-pyridone22123-11-154 % similar 2,6-Dihydroxy-4-(trifluoromethyl)nicotinonitrile3335-46-450 % similar 2,6-Bis(trifluoromethyl)benzonitrile25753-25-741 % similar 6-Methyl-4-(trifluoromethyl)-2(1H)-pyridone22123-19-940 % similar 2,6-Dichloro-4-(trifluoromethyl)nicotinonitrile13600-42-539 % similar 4-Methyl-3-(trifluoromethyl)benzonitrile261952-06-139 % similar 2-Fluoro-6-(trifluoromethyl)benzonitrile133116-83-336 % similar

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

Same formula

2-(2,2,2-Trifluoroethoxy)pyridine-3-carbonitrile175277-89-1 4-Amino-3-(trifluoromethoxy)benzonitrile175278-23-6

Elsewhere

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