ethyl 1-(3,4-dichlorophenyl)-2-methyl-4-oxopyridine-3-carboxylate

C15H13Cl2NO3 — CID 22769971

IUPACethyl 1-(3,4-dichlorophenyl)-2-methyl-4-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)n(-c2ccc(Cl)c(Cl)c2)ccc1=O
InChIInChI=1S/C15H13Cl2NO3/c1-3-21-15(20)14-9(2)18(7-6-13(14)19)10-4-5-11(16)12(17)8-10/h4-8H,3H2,1-2H3
InChIKeyWXKNEGLCPPVTGD-UHFFFAOYSA-N
MW326.18 g/mol
LogP3.63
Rot. Bonds3

About ethyl 1-(3,4-dichlorophenyl)-2-methyl-4-oxopyridine-3-carboxylate

ethyl 1-(3,4-dichlorophenyl)-2-methyl-4-oxopyridine-3-carboxylate (PubChem CID 22769971) has the molecular formula C15H13Cl2NO3 and a molecular weight of 326.18 g/mol. Its IUPAC name is ethyl 1-(3,4-dichlorophenyl)-2-methyl-4-oxopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3,4-dichlorophenyl)-2-methyl-4-oxopyridine-3-carboxylate
PubChem CID22769971
Molecular FormulaC15H13Cl2NO3
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Nameethyl 1-(3,4-dichlorophenyl)-2-methyl-4-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)n(-c2ccc(Cl)c(Cl)c2)ccc1=O
InChIInChI=1S/C15H13Cl2NO3/c1-3-21-15(20)14-9(2)18(7-6-13(14)19)10-4-5-11(16)12(17)8-10/h4-8H,3H2,1-2H3
InChIKeyWXKNEGLCPPVTGD-UHFFFAOYSA-N
XLogP3.63
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-(3,4-dichlorophenyl)-2-methyl-4-oxopyridine-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 3-(3,4-dichlorophenyl)-5-methylimidazole-4-carboxylate
CID 69038701
ethyl 1-(3,4-dichlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxylate
CID 24822410
ethyl 2-(3,4-dichlorophenyl)-3-oxo-1H-pyrazole-5-carboxylate
CID 23330093
ethyl 5-chloro-4-(3,4-dichlorophenyl)-1,6-dimethyl-2-oxopyridine-3-carboxylate
CID 169258499
ethyl 1-(3,4-dichlorophenyl)triazole-4-carboxylate
CID 122241367
ethyl 2-(3,4-dichlorophenyl)-1-ethyl-6-iodo-4-oxopyridine-3-carboxylate
CID 170604899
diethyl 4-(3,4-dichlorophenyl)-1-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylate
CID 1039509
ethyl 2-chloro-5-(3,5-dimethylpyrazol-1-yl)benzoate
CID 50884704
ethyl 3,6-dichloro-2-hydroxybenzoate
CID 130788208
ethyl 1-(4-chlorophenyl)pyrrole-2-carboxylate
CID 170871926
ethyl 6-chloro-1,2-dimethylpyrrolo[2,3-b]pyridine-3-carboxylate
CID 170073021
ethyl 2,4,6-trichlorobenzoate
CID 91733956

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3,4-dichlorophenyl)-2-methyl-4-oxopyridine-3-carboxylate?
The IUPAC name of ethyl 1-(3,4-dichlorophenyl)-2-methyl-4-oxopyridine-3-carboxylate (CID 22769971) is ethyl 1-(3,4-dichlorophenyl)-2-methyl-4-oxopyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-(3,4-dichlorophenyl)-2-methyl-4-oxopyridine-3-carboxylate?
The canonical SMILES for ethyl 1-(3,4-dichlorophenyl)-2-methyl-4-oxopyridine-3-carboxylate is CCOC(=O)c1c(C)n(-c2ccc(Cl)c(Cl)c2)ccc1=O.
What is the InChIKey of ethyl 1-(3,4-dichlorophenyl)-2-methyl-4-oxopyridine-3-carboxylate?
The InChIKey is WXKNEGLCPPVTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO3/c1-3-21-15(20)14-9(2)18(7-6-13(14)19)10-4-5-11(16)12(17)8-10/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 1-(3,4-dichlorophenyl)-2-methyl-4-oxopyridine-3-carboxylate?
ethyl 1-(3,4-dichlorophenyl)-2-methyl-4-oxopyridine-3-carboxylate has a molecular weight of 326.18 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3,4-dichlorophenyl)-2-methyl-4-oxopyridine-3-carboxylate is sourced from PubChem (CID 22769971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).