1-[(2-aminophenyl)methyl]-6-(trifluoromethyl)pyridin-2-one

C13H11F3N2O — CID 81320413

IUPAC1-[(2-aminophenyl)methyl]-6-(trifluoromethyl)pyridin-2-one
SMILESNc1ccccc1Cn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C13H11F3N2O/c14-13(15,16)11-6-3-7-12(19)18(11)8-9-4-1-2-5-10(9)17/h1-7H,8,17H2
InChIKeyRCYRFSTWQVQMNT-UHFFFAOYSA-N
MW268.24 g/mol
LogP2.50
Rot. Bonds2

About 1-[(2-aminophenyl)methyl]-6-(trifluoromethyl)pyridin-2-one

1-[(2-aminophenyl)methyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81320413) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is 1-[(2-aminophenyl)methyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(2-aminophenyl)methyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID81320413
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name1-[(2-aminophenyl)methyl]-6-(trifluoromethyl)pyridin-2-one
SMILESNc1ccccc1Cn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C13H11F3N2O/c14-13(15,16)11-6-3-7-12(19)18(11)8-9-4-1-2-5-10(9)17/h1-7H,8,17H2
InChIKeyRCYRFSTWQVQMNT-UHFFFAOYSA-N
XLogP2.50
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-[(2-aminophenyl)methyl]-6-(trifluoromethyl)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-[(2-aminophenyl)methyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(2-aminophenyl)methyl]-6-(trifluoromethyl)pyridin-2-one (CID 81320413) is 1-[(2-aminophenyl)methyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(2-aminophenyl)methyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(2-aminophenyl)methyl]-6-(trifluoromethyl)pyridin-2-one is Nc1ccccc1Cn1c(C(F)(F)F)cccc1=O.
What is the InChIKey of 1-[(2-aminophenyl)methyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is RCYRFSTWQVQMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c14-13(15,16)11-6-3-7-12(19)18(11)8-9-4-1-2-5-10(9)17/h1-7H,8,17H2.
What are the key properties of 1-[(2-aminophenyl)methyl]-6-(trifluoromethyl)pyridin-2-one?
1-[(2-aminophenyl)methyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 268.24 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-aminophenyl)methyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81320413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).