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

C6H3F4NO — CID 118703923

IUPAC3-fluoro-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)(F)F)ccc1F
InChIInChI=1S/C6H3F4NO/c7-3-1-2-4(6(8,9)10)11-5(3)12/h1-2H,(H,11,12)
InChIKeyOZOGHBXOHWCPKQ-UHFFFAOYSA-N
MW181.09 g/mol
LogP1.53
Rot. Bonds

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

3-fluoro-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 118703923) has the molecular formula C6H3F4NO and a molecular weight of 181.09 g/mol. Its IUPAC name is 3-fluoro-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-fluoro-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID118703923
Molecular FormulaC6H3F4NO
Molecular Weight181.09 g/mol
Exact Mass181.02
IUPAC Name3-fluoro-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)(F)F)ccc1F
InChIInChI=1S/C6H3F4NO/c7-3-1-2-4(6(8,9)10)11-5(3)12/h1-2H,(H,11,12)
InChIKeyOZOGHBXOHWCPKQ-UHFFFAOYSA-N
XLogP1.53
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.09
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-fluoro-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

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-fluoro-6-(trifluoromethyl)-1H-pyridin-2-one (CID 118703923) is 3-fluoro-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-fluoro-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-fluoro-6-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]c(C(F)(F)F)ccc1F.
What is the InChIKey of 3-fluoro-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is OZOGHBXOHWCPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F4NO/c7-3-1-2-4(6(8,9)10)11-5(3)12/h1-2H,(H,11,12).
What are the key properties of 3-fluoro-6-(trifluoromethyl)-1H-pyridin-2-one?
3-fluoro-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 181.09 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118703923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).