1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one

C13H10F3NO — CID 53430808

IUPAC1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one
SMILESO=c1ccccn1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H10F3NO/c14-13(15,16)11-5-3-4-10(8-11)9-17-7-2-1-6-12(17)18/h1-8H,9H2
InChIKeyFPMBFOLRTXXCQM-UHFFFAOYSA-N
MW253.22 g/mol
LogP2.92
Rot. Bonds2

About 1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one

1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one (PubChem CID 53430808) has the molecular formula C13H10F3NO and a molecular weight of 253.22 g/mol. Its IUPAC name is 1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one
PubChem CID53430808
Molecular FormulaC13H10F3NO
Molecular Weight253.22 g/mol
Exact Mass253.07
IUPAC Name1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one
SMILESO=c1ccccn1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H10F3NO/c14-13(15,16)11-5-3-4-10(8-11)9-17-7-2-1-6-12(17)18/h1-8H,9H2
InChIKeyFPMBFOLRTXXCQM-UHFFFAOYSA-N
XLogP2.92
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[[3-(trifluoromethyl)phenyl]methyl]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 1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The IUPAC name of 1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one (CID 53430808) is 1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one.
What is the SMILES notation for 1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The canonical SMILES for 1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one is O=c1ccccn1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The InChIKey is FPMBFOLRTXXCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO/c14-13(15,16)11-5-3-4-10(8-11)9-17-7-2-1-6-12(17)18/h1-8H,9H2.
What are the key properties of 1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one has a molecular weight of 253.22 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one is sourced from PubChem (CID 53430808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).