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

C7H6F3NO — CID 59340901

IUPAC3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C7H6F3NO/c1-4-2-3-5(7(8,9)10)11-6(4)12/h2-3H,1H3,(H,11,12)
InChIKeyJROZRVYVBYAKPU-UHFFFAOYSA-N
MW177.12 g/mol
LogP1.70
Rot. Bonds

About 3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one

3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 59340901) has the molecular formula C7H6F3NO and a molecular weight of 177.12 g/mol. Its IUPAC name is 3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID59340901
Molecular FormulaC7H6F3NO
Molecular Weight177.12 g/mol
Exact Mass177.04
IUPAC Name3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C7H6F3NO/c1-4-2-3-5(7(8,9)10)11-6(4)12/h2-3H,1H3,(H,11,12)
InChIKeyJROZRVYVBYAKPU-UHFFFAOYSA-N
XLogP1.70
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.12
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-methyl-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

CID 10154195
CID 10154195
CID 2775114
CID 2775114
CID 2782992
CID 2782992
CID 14043509
CID 14043509
CID 579340
CID 579340
CID 118704032
CID 118704032
CID 10035141
CID 10035141
CID 10441812
CID 10441812
CID 15210459
CID 15210459
CID 20767670
CID 20767670
CID 22890212
CID 22890212
CID 59828229
CID 59828229

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one (CID 59340901) is 3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one is Cc1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is JROZRVYVBYAKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO/c1-4-2-3-5(7(8,9)10)11-6(4)12/h2-3H,1H3,(H,11,12).
What are the key properties of 3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one?
3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 177.12 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 59340901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).