ethyl 2-(4-chloro-2-fluoro-3-methoxyphenyl)-4-oxo-3,5-dihydro-2H-pyridine-6-carboxylate

C15H15ClFNO4 — CID 91413024

IUPACethyl 2-(4-chloro-2-fluoro-3-methoxyphenyl)-4-oxo-3,5-dihydro-2H-pyridine-6-carboxylate
SMILESCCOC(=O)C1=NC(c2ccc(Cl)c(OC)c2F)CC(=O)C1
InChIInChI=1S/C15H15ClFNO4/c1-3-22-15(20)12-7-8(19)6-11(18-12)9-4-5-10(16)14(21-2)13(9)17/h4-5,11H,3,6-7H2,1-2H3
InChIKeyFCKYBAQTTPSWRC-UHFFFAOYSA-N
MW327.74 g/mol
LogP2.90
Rot. Bonds4

About ethyl 2-(4-chloro-2-fluoro-3-methoxyphenyl)-4-oxo-3,5-dihydro-2H-pyridine-6-carboxylate

ethyl 2-(4-chloro-2-fluoro-3-methoxyphenyl)-4-oxo-3,5-dihydro-2H-pyridine-6-carboxylate (PubChem CID 91413024) has the molecular formula C15H15ClFNO4 and a molecular weight of 327.74 g/mol. Its IUPAC name is ethyl 2-(4-chloro-2-fluoro-3-methoxyphenyl)-4-oxo-3,5-dihydro-2H-pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-chloro-2-fluoro-3-methoxyphenyl)-4-oxo-3,5-dihydro-2H-pyridine-6-carboxylate
PubChem CID91413024
Molecular FormulaC15H15ClFNO4
Molecular Weight327.74 g/mol
Exact Mass327.07
IUPAC Nameethyl 2-(4-chloro-2-fluoro-3-methoxyphenyl)-4-oxo-3,5-dihydro-2H-pyridine-6-carboxylate
SMILESCCOC(=O)C1=NC(c2ccc(Cl)c(OC)c2F)CC(=O)C1
InChIInChI=1S/C15H15ClFNO4/c1-3-22-15(20)12-7-8(19)6-11(18-12)9-4-5-10(16)14(21-2)13(9)17/h4-5,11H,3,6-7H2,1-2H3
InChIKeyFCKYBAQTTPSWRC-UHFFFAOYSA-N
XLogP2.90
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.74
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(4-chloro-2-fluoro-3-methoxyphenyl)-4-oxo-3,5-dihydro-2H-pyridine-6-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-(4-chloro-2-fluoro-3-methoxyphenyl)-4-oxo-3,5-dihydro-2H-pyridine-6-carboxylate?
The IUPAC name of ethyl 2-(4-chloro-2-fluoro-3-methoxyphenyl)-4-oxo-3,5-dihydro-2H-pyridine-6-carboxylate (CID 91413024) is ethyl 2-(4-chloro-2-fluoro-3-methoxyphenyl)-4-oxo-3,5-dihydro-2H-pyridine-6-carboxylate.
What is the SMILES notation for ethyl 2-(4-chloro-2-fluoro-3-methoxyphenyl)-4-oxo-3,5-dihydro-2H-pyridine-6-carboxylate?
The canonical SMILES for ethyl 2-(4-chloro-2-fluoro-3-methoxyphenyl)-4-oxo-3,5-dihydro-2H-pyridine-6-carboxylate is CCOC(=O)C1=NC(c2ccc(Cl)c(OC)c2F)CC(=O)C1.
What is the InChIKey of ethyl 2-(4-chloro-2-fluoro-3-methoxyphenyl)-4-oxo-3,5-dihydro-2H-pyridine-6-carboxylate?
The InChIKey is FCKYBAQTTPSWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO4/c1-3-22-15(20)12-7-8(19)6-11(18-12)9-4-5-10(16)14(21-2)13(9)17/h4-5,11H,3,6-7H2,1-2H3.
What are the key properties of ethyl 2-(4-chloro-2-fluoro-3-methoxyphenyl)-4-oxo-3,5-dihydro-2H-pyridine-6-carboxylate?
ethyl 2-(4-chloro-2-fluoro-3-methoxyphenyl)-4-oxo-3,5-dihydro-2H-pyridine-6-carboxylate has a molecular weight of 327.74 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chloro-2-fluoro-3-methoxyphenyl)-4-oxo-3,5-dihydro-2H-pyridine-6-carboxylate is sourced from PubChem (CID 91413024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).