chempirical

6-Methyl-4-(trifluoromethyl)-2(1H)-pyridone

C7H6F3NOCAS 22123-19-9177.13 g/mol

Open in Covalent MOL file
OHNFFF
Alkyl halide

Properties

Molecular formula
C7H6F3NO
Molar mass
177.13 g/mol
Exact mass
177.0401 Da
logP
1.70Crippen estimate
Polar surface area
32.9 Ų
H-bond donors / acceptors
1 / 1
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
22123-19-9
SMILES
CC1=CC(=CC(=O)N1)C(F)(F)F
InChIKey
CDRMKCNOGIBXOG-UHFFFAOYSA-N
InChI
InChI=1S/C7H6F3NO/c1-4-2-5(7(8,9)10)3-6(12)11-4/h2-3H,1H3,(H,11,12)

Weigh it out

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

Names and synonyms

1 names
  • 6-Methyl-4-(trifluoromethyl)pyridin-2(1H)-one

Work with 6-Methyl-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

4,6-Dimethylpyridin-2-ol16115-08-552 % similar 4-Hydroxy-2-methyl-6-(trifluoromethyl)pyrimidine2836-44-450 % similar 6-(Trifluoromethyl)uracil672-45-743 % similar 3,5-Bis(trifluoromethyl)toluene75462-61-242 % similar 1,3,5-Tris(trifluoromethyl)benzene729-81-741 % similar 6-Methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile654-49-940 % similar 2-(Methylsulfanyl)-6-(trifluoromethyl)pyrimidin-4-ol16097-62-440 % similar 2-Hydroxy-5-trifluoromethylpyridine33252-63-040 % similar

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

Same formula

2-Methoxy-3-(trifluoromethyl)pyridine121643-44-5 3-(Trifluoromethoxy)aniline1535-73-5 2-Trifluoromethoxyaniline1535-75-7 2-Methoxy-5-(trifluoromethyl)pyridine175277-45-9 5-Methoxy-2-(trifluoromethyl)pyridine216766-13-1 6-(Trifluoromethyl)pyridine-3-methanol386704-04-7 2-Amino-5-(trifluoromethyl)phenol454-82-0 4-(Trifluoromethoxy)aniline461-82-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook