ethyl 1-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylate

C11H12F3NO4 — CID 178070210

IUPACethyl 1-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(F)(F)F)n(CCO)c1=O
InChIInChI=1S/C11H12F3NO4/c1-2-19-10(18)7-3-4-8(11(12,13)14)15(5-6-16)9(7)17/h3-4,16H,2,5-6H2,1H3
InChIKeyTVFBEQABJRHABE-UHFFFAOYSA-N
MW279.21 g/mol
LogP1.04
Rot. Bonds4

About ethyl 1-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylate

ethyl 1-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 178070210) has the molecular formula C11H12F3NO4 and a molecular weight of 279.21 g/mol. Its IUPAC name is ethyl 1-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID178070210
Molecular FormulaC11H12F3NO4
Molecular Weight279.21 g/mol
Exact Mass279.07
IUPAC Nameethyl 1-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(F)(F)F)n(CCO)c1=O
InChIInChI=1S/C11H12F3NO4/c1-2-19-10(18)7-3-4-8(11(12,13)14)15(5-6-16)9(7)17/h3-4,16H,2,5-6H2,1H3
InChIKeyTVFBEQABJRHABE-UHFFFAOYSA-N
XLogP1.04
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.21
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 1-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylate 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 ethyl 1-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 1-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylate (CID 178070210) is ethyl 1-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 1-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1ccc(C(F)(F)F)n(CCO)c1=O.
What is the InChIKey of ethyl 1-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is TVFBEQABJRHABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO4/c1-2-19-10(18)7-3-4-8(11(12,13)14)15(5-6-16)9(7)17/h3-4,16H,2,5-6H2,1H3.
What are the key properties of ethyl 1-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylate?
ethyl 1-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 279.21 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 178070210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).