1-(2-hydroxy-1-methoxyethyl)-4-(trifluoromethyl)pyridin-2-one

C9H10F3NO3 — CID 134277922

IUPAC1-(2-hydroxy-1-methoxyethyl)-4-(trifluoromethyl)pyridin-2-one
SMILESCOC(CO)n1ccc(C(F)(F)F)cc1=O
InChIInChI=1S/C9H10F3NO3/c1-16-8(5-14)13-3-2-6(4-7(13)15)9(10,11)12/h2-4,8,14H,5H2,1H3
InChIKeyPQDBCGWLGVWRMV-UHFFFAOYSA-N
MW237.18 g/mol
LogP1.00
Rot. Bonds3

About 1-(2-hydroxy-1-methoxyethyl)-4-(trifluoromethyl)pyridin-2-one

1-(2-hydroxy-1-methoxyethyl)-4-(trifluoromethyl)pyridin-2-one (PubChem CID 134277922) has the molecular formula C9H10F3NO3 and a molecular weight of 237.18 g/mol. Its IUPAC name is 1-(2-hydroxy-1-methoxyethyl)-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(2-hydroxy-1-methoxyethyl)-4-(trifluoromethyl)pyridin-2-one
PubChem CID134277922
Molecular FormulaC9H10F3NO3
Molecular Weight237.18 g/mol
Exact Mass237.06
IUPAC Name1-(2-hydroxy-1-methoxyethyl)-4-(trifluoromethyl)pyridin-2-one
SMILESCOC(CO)n1ccc(C(F)(F)F)cc1=O
InChIInChI=1S/C9H10F3NO3/c1-16-8(5-14)13-3-2-6(4-7(13)15)9(10,11)12/h2-4,8,14H,5H2,1H3
InChIKeyPQDBCGWLGVWRMV-UHFFFAOYSA-N
XLogP1.00
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-hydroxy-1-methoxyethyl)-4-(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-hydroxy-1-methoxyethyl)-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(2-hydroxy-1-methoxyethyl)-4-(trifluoromethyl)pyridin-2-one (CID 134277922) is 1-(2-hydroxy-1-methoxyethyl)-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(2-hydroxy-1-methoxyethyl)-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(2-hydroxy-1-methoxyethyl)-4-(trifluoromethyl)pyridin-2-one is COC(CO)n1ccc(C(F)(F)F)cc1=O.
What is the InChIKey of 1-(2-hydroxy-1-methoxyethyl)-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is PQDBCGWLGVWRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO3/c1-16-8(5-14)13-3-2-6(4-7(13)15)9(10,11)12/h2-4,8,14H,5H2,1H3.
What are the key properties of 1-(2-hydroxy-1-methoxyethyl)-4-(trifluoromethyl)pyridin-2-one?
1-(2-hydroxy-1-methoxyethyl)-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 237.18 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-1-methoxyethyl)-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 134277922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).