5-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-one

C12H8F3NO — CID 16640951

IUPAC5-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2ccc(C(F)(F)F)cc2)c[nH]1
InChIInChI=1S/C12H8F3NO/c13-12(14,15)10-4-1-8(2-5-10)9-3-6-11(17)16-7-9/h1-7H,(H,16,17)
InChIKeyGWCVSUAYFBNMHX-UHFFFAOYSA-N
MW239.20 g/mol
LogP3.06
Rot. Bonds1

About 5-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-one

5-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-one (PubChem CID 16640951) has the molecular formula C12H8F3NO and a molecular weight of 239.20 g/mol. Its IUPAC name is 5-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-one
PubChem CID16640951
Molecular FormulaC12H8F3NO
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Name5-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2ccc(C(F)(F)F)cc2)c[nH]1
InChIInChI=1S/C12H8F3NO/c13-12(14,15)10-4-1-8(2-5-10)9-3-6-11(17)16-7-9/h1-7H,(H,16,17)
InChIKeyGWCVSUAYFBNMHX-UHFFFAOYSA-N
XLogP3.06
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-[4-(trifluoromethyl)phenyl]-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 5-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-one (CID 16640951) is 5-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-one is O=c1ccc(-c2ccc(C(F)(F)F)cc2)c[nH]1.
What is the InChIKey of 5-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The InChIKey is GWCVSUAYFBNMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO/c13-12(14,15)10-4-1-8(2-5-10)9-3-6-11(17)16-7-9/h1-7H,(H,16,17).
What are the key properties of 5-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
5-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-one has a molecular weight of 239.20 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 16640951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).