6-(trifluoromethyl)-1H-pyridin-2-one

C6H4F3NO — CID 10154195

IUPAC6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cccc(C(F)(F)F)[nH]1
InChIInChI=1S/C6H4F3NO/c7-6(8,9)4-2-1-3-5(11)10-4/h1-3H,(H,10,11)
InChIKeyXXRUAAOADAPPII-UHFFFAOYSA-N
MW163.10 g/mol
LogP1.39
Rot. Bonds

About 6-(trifluoromethyl)-1H-pyridin-2-one

6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 10154195) has the molecular formula C6H4F3NO and a molecular weight of 163.10 g/mol. Its IUPAC name is 6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID10154195
Molecular FormulaC6H4F3NO
Molecular Weight163.10 g/mol
Exact Mass163.02
IUPAC Name6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cccc(C(F)(F)F)[nH]1
InChIInChI=1S/C6H4F3NO/c7-6(8,9)4-2-1-3-5(11)10-4/h1-3H,(H,10,11)
InChIKeyXXRUAAOADAPPII-UHFFFAOYSA-N
XLogP1.39
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.10
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-(trifluoromethyl)-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Methylpyridin-2-ol
CID 76772
2-Fluoro-6-hydroxypyridine
CID 2762887
3-Iodo-6-(trifluoromethyl)pyridin-2-ol
CID 46318013
5-Fluoro-6-methylpyridin-2(1H)-one
CID 72212935
4-Iodo-6-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 118704344
5-Chloro-6-(trifluoromethyl)pyridin-2-ol
CID 72183134
5-Methylene-3-pyrrolin-2-one
CID 13795019
6-[chloro(difluoro)methyl]-1H-pyridin-2-one
CID 10261690
6-(Difluoromethyl)pyridin-2(1H)-one
CID 10441812
2(1H)-Pyridinone, 6-(fluoromethyl)-
CID 10464359
3,5-difluoro-6-methyl-1H-pyridin-2-one
CID 20602953
2(1H)-Pyridinone, 6-methyl-3-(trifluoromethyl)-
CID 20767670

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-(trifluoromethyl)-1H-pyridin-2-one (CID 10154195) is 6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(trifluoromethyl)-1H-pyridin-2-one is O=c1cccc(C(F)(F)F)[nH]1.
What is the InChIKey of 6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is XXRUAAOADAPPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO/c7-6(8,9)4-2-1-3-5(11)10-4/h1-3H,(H,10,11).
What are the key properties of 6-(trifluoromethyl)-1H-pyridin-2-one?
6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 163.10 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 10154195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).