ethyl 4-chloro-6-(4-chlorophenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylate

C16H15Cl2NO3 — CID 118278384

IUPACethyl 4-chloro-6-(4-chlorophenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(Cl)c(CC)c(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C16H15Cl2NO3/c1-3-11-13(18)12(16(21)22-4-2)15(20)19-14(11)9-5-7-10(17)8-6-9/h5-8H,3-4H2,1-2H3,(H,19,20)
InChIKeyBRYBQUJTKFZTPA-UHFFFAOYSA-N
MW340.21 g/mol
LogP4.09
Rot. Bonds4

About ethyl 4-chloro-6-(4-chlorophenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylate

ethyl 4-chloro-6-(4-chlorophenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 118278384) has the molecular formula C16H15Cl2NO3 and a molecular weight of 340.21 g/mol. Its IUPAC name is ethyl 4-chloro-6-(4-chlorophenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-6-(4-chlorophenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylate
PubChem CID118278384
Molecular FormulaC16H15Cl2NO3
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Nameethyl 4-chloro-6-(4-chlorophenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(Cl)c(CC)c(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C16H15Cl2NO3/c1-3-11-13(18)12(16(21)22-4-2)15(20)19-14(11)9-5-7-10(17)8-6-9/h5-8H,3-4H2,1-2H3,(H,19,20)
InChIKeyBRYBQUJTKFZTPA-UHFFFAOYSA-N
XLogP4.09
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 4-chloro-6-(4-chlorophenyl)-5-ethyl-2-oxo-1H-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

Related Compounds

ethyl 5-acetamido-2-(4-chlorophenyl)-4-(2-ethoxy-2-oxoethyl)-6-oxo-1H-pyridine-3-carboxylate
CID 10873514
ethyl 2-chloro-3,6-difluorobenzoate
CID 46311291
ethyl 5-(4-chlorophenyl)sulfanyl-2,6-bis(4-methylphenyl)-4-oxo-1H-pyridine-3-carboxylate
CID 46210296
ethyl 5-[4-(5-ethoxycarbonyl-3,4-diethyl-1H-pyrrol-2-yl)phenyl]-3,4-diethyl-1H-pyrrole-2-carboxylate
CID 101267439
ethyl 4,5-dichloro-3-(4-chlorophenyl)-1H-pyrrole-2-carboxylate
CID 177256247
diethyl 2-(4-chlorophenyl)-4,6-dimethylpyridine-3,5-dicarboxylate
CID 122366670
ethyl 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylate
CID 22831657
ethyl 3-(4-chlorophenyl)-4-methyl-5-phenyl-1H-pyrrole-2-carboxylate
CID 12910346
ethyl 4-chloro-2-oxo-1H-1,6-naphthyridine-3-carboxylate
CID 59699624
ethyl 3-(2-amino-4-chlorophenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylate
CID 21473963
ethyl 5-ethyl-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carboxylate;molecular hydrogen
CID 144616781
ethyl 2-amino-4-(4-chlorophenyl)-5-ethylthiophene-3-carboxylate
CID 39079161

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-6-(4-chlorophenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 4-chloro-6-(4-chlorophenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylate (CID 118278384) is ethyl 4-chloro-6-(4-chlorophenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-chloro-6-(4-chlorophenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-chloro-6-(4-chlorophenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1c(Cl)c(CC)c(-c2ccc(Cl)cc2)[nH]c1=O.
What is the InChIKey of ethyl 4-chloro-6-(4-chlorophenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is BRYBQUJTKFZTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO3/c1-3-11-13(18)12(16(21)22-4-2)15(20)19-14(11)9-5-7-10(17)8-6-9/h5-8H,3-4H2,1-2H3,(H,19,20).
What are the key properties of ethyl 4-chloro-6-(4-chlorophenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylate?
ethyl 4-chloro-6-(4-chlorophenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 340.21 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-6-(4-chlorophenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 118278384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).