ethyl 2-oxo-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxylate

C17H16F3NO3 — CID 59362508

IUPACethyl 2-oxo-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccn(C(C)c2ccc(C(F)(F)F)cc2)c1=O
InChIInChI=1S/C17H16F3NO3/c1-3-24-16(23)14-5-4-10-21(15(14)22)11(2)12-6-8-13(9-7-12)17(18,19)20/h4-11H,3H2,1-2H3
InChIKeyRHDGMXOUQSCQBW-UHFFFAOYSA-N
MW339.31 g/mol
LogP3.65
Rot. Bonds4

About ethyl 2-oxo-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxylate

ethyl 2-oxo-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxylate (PubChem CID 59362508) has the molecular formula C17H16F3NO3 and a molecular weight of 339.31 g/mol. Its IUPAC name is ethyl 2-oxo-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxylate
PubChem CID59362508
Molecular FormulaC17H16F3NO3
Molecular Weight339.31 g/mol
Exact Mass339.11
IUPAC Nameethyl 2-oxo-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccn(C(C)c2ccc(C(F)(F)F)cc2)c1=O
InChIInChI=1S/C17H16F3NO3/c1-3-24-16(23)14-5-4-10-21(15(14)22)11(2)12-6-8-13(9-7-12)17(18,19)20/h4-11H,3H2,1-2H3
InChIKeyRHDGMXOUQSCQBW-UHFFFAOYSA-N
XLogP3.65
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-oxo-1-[1-[4-(trifluoromethyl)phenyl]ethyl]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 2-oxo-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-oxo-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxylate (CID 59362508) is ethyl 2-oxo-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-oxo-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-oxo-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxylate is CCOC(=O)c1cccn(C(C)c2ccc(C(F)(F)F)cc2)c1=O.
What is the InChIKey of ethyl 2-oxo-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxylate?
The InChIKey is RHDGMXOUQSCQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO3/c1-3-24-16(23)14-5-4-10-21(15(14)22)11(2)12-6-8-13(9-7-12)17(18,19)20/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 2-oxo-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxylate?
ethyl 2-oxo-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxylate has a molecular weight of 339.31 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxylate is sourced from PubChem (CID 59362508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).