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

C14H13ClFNO3 — CID 90863797

IUPACethyl 2-(4-chloro-2-fluorophenyl)-4-oxo-3,5-dihydro-2H-pyridine-6-carboxylate
SMILESCCOC(=O)C1=NC(c2ccc(Cl)cc2F)CC(=O)C1
InChIInChI=1S/C14H13ClFNO3/c1-2-20-14(19)13-7-9(18)6-12(17-13)10-4-3-8(15)5-11(10)16/h3-5,12H,2,6-7H2,1H3
InChIKeyKIMPNJJTFISFRY-UHFFFAOYSA-N
MW297.71 g/mol
LogP2.89
Rot. Bonds3

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

ethyl 2-(4-chloro-2-fluorophenyl)-4-oxo-3,5-dihydro-2H-pyridine-6-carboxylate (PubChem CID 90863797) has the molecular formula C14H13ClFNO3 and a molecular weight of 297.71 g/mol. Its IUPAC name is ethyl 2-(4-chloro-2-fluorophenyl)-4-oxo-3,5-dihydro-2H-pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-chloro-2-fluorophenyl)-4-oxo-3,5-dihydro-2H-pyridine-6-carboxylate
PubChem CID90863797
Molecular FormulaC14H13ClFNO3
Molecular Weight297.71 g/mol
Exact Mass297.06
IUPAC Nameethyl 2-(4-chloro-2-fluorophenyl)-4-oxo-3,5-dihydro-2H-pyridine-6-carboxylate
SMILESCCOC(=O)C1=NC(c2ccc(Cl)cc2F)CC(=O)C1
InChIInChI=1S/C14H13ClFNO3/c1-2-20-14(19)13-7-9(18)6-12(17-13)10-4-3-8(15)5-11(10)16/h3-5,12H,2,6-7H2,1H3
InChIKeyKIMPNJJTFISFRY-UHFFFAOYSA-N
XLogP2.89
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.71
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(4-chloro-2-fluorophenyl)-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-fluorophenyl)-4-oxo-3,5-dihydro-2H-pyridine-6-carboxylate?
The IUPAC name of ethyl 2-(4-chloro-2-fluorophenyl)-4-oxo-3,5-dihydro-2H-pyridine-6-carboxylate (CID 90863797) is ethyl 2-(4-chloro-2-fluorophenyl)-4-oxo-3,5-dihydro-2H-pyridine-6-carboxylate.
What is the SMILES notation for ethyl 2-(4-chloro-2-fluorophenyl)-4-oxo-3,5-dihydro-2H-pyridine-6-carboxylate?
The canonical SMILES for ethyl 2-(4-chloro-2-fluorophenyl)-4-oxo-3,5-dihydro-2H-pyridine-6-carboxylate is CCOC(=O)C1=NC(c2ccc(Cl)cc2F)CC(=O)C1.
What is the InChIKey of ethyl 2-(4-chloro-2-fluorophenyl)-4-oxo-3,5-dihydro-2H-pyridine-6-carboxylate?
The InChIKey is KIMPNJJTFISFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO3/c1-2-20-14(19)13-7-9(18)6-12(17-13)10-4-3-8(15)5-11(10)16/h3-5,12H,2,6-7H2,1H3.
What are the key properties of ethyl 2-(4-chloro-2-fluorophenyl)-4-oxo-3,5-dihydro-2H-pyridine-6-carboxylate?
ethyl 2-(4-chloro-2-fluorophenyl)-4-oxo-3,5-dihydro-2H-pyridine-6-carboxylate has a molecular weight of 297.71 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chloro-2-fluorophenyl)-4-oxo-3,5-dihydro-2H-pyridine-6-carboxylate is sourced from PubChem (CID 90863797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).