chempirical

4-(Trifluoromethyl)-2(1H)-pyridinone

C6H4F3NOCAS 50650-59-4163.10 g/mol

Open in Covalent MOL file
HOFFFN
Alkyl halidePhenol

Properties

Molecular formula
C6H4F3NO
Molar mass
163.10 g/mol
Exact mass
163.0245 Da
logP
1.81Crippen estimate
Polar surface area
33.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
50650-59-4
SMILES
Oc1cc(C(F)(F)F)ccn1
InChIKey
IKHLLNMSMFVTLP-UHFFFAOYSA-N
InChI
InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-10-5(11)3-4/h1-3H,(H,10,11)

Weigh it out

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

Names and synonyms

8 names
  • 2(1H)-Pyridinone, 4-(trifluoromethyl)-
  • 4-Trifluoromethyl-2-pyridone
  • 2-Hydroxy-4-trifluoromethylpyridine
  • 4-Trifluoromethyl-2-pyridinone
  • 4-Trifluoromethyl-2-hydroxypyridine
  • 4-Trifluoromethyl-1H-pyridin-2-one
  • 4-Trifluoromethyl-2(1H)-pyridinone
  • 4-Trifluoromethylpyridin-2-ol

Work with 4-(Trifluoromethyl)-2(1H)-pyridinone

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-Fluoro-4-(trifluoromethyl)pyridine118078-66-362 % similar 2-Amino-4-(trifluoromethyl)pyridine106447-97-655 % similar 2-Bromo-4-(trifluoromethyl)pyridine175205-81-955 % similar 2-Chloro-4-(trifluoromethyl)pyridine81565-18-655 % similar 4-Hydroxy-2(1H)-pyridinone626-03-948 % similar 4-(Trifluoromethyl)pyridine3796-24-546 % similar 3-(Trifluoromethyl)phenol98-17-944 % similar 3,5-Bis(trifluoromethyl)benzene402-31-343 % similar

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

Same formula

6-(Trifluoromethyl)-3-pyridinol216766-12-0

Elsewhere

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