ethyl 2-(3,4-dichlorophenyl)-1-ethyl-6-iodo-4-oxopyridine-3-carboxylate

C16H14Cl2INO3 — CID 170604899

IUPACethyl 2-(3,4-dichlorophenyl)-1-ethyl-6-iodo-4-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)c(Cl)c2)n(CC)c(I)cc1=O
InChIInChI=1S/C16H14Cl2INO3/c1-3-20-13(19)8-12(21)14(16(22)23-4-2)15(20)9-5-6-10(17)11(18)7-9/h5-8H,3-4H2,1-2H3
InChIKeyXGVWVAZKKPWRGX-UHFFFAOYSA-N
MW466.10 g/mol
LogP4.62
Rot. Bonds4

About ethyl 2-(3,4-dichlorophenyl)-1-ethyl-6-iodo-4-oxopyridine-3-carboxylate

ethyl 2-(3,4-dichlorophenyl)-1-ethyl-6-iodo-4-oxopyridine-3-carboxylate (PubChem CID 170604899) has the molecular formula C16H14Cl2INO3 and a molecular weight of 466.10 g/mol. Its IUPAC name is ethyl 2-(3,4-dichlorophenyl)-1-ethyl-6-iodo-4-oxopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3,4-dichlorophenyl)-1-ethyl-6-iodo-4-oxopyridine-3-carboxylate
PubChem CID170604899
Molecular FormulaC16H14Cl2INO3
Molecular Weight466.10 g/mol
Exact Mass464.94
IUPAC Nameethyl 2-(3,4-dichlorophenyl)-1-ethyl-6-iodo-4-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)c(Cl)c2)n(CC)c(I)cc1=O
InChIInChI=1S/C16H14Cl2INO3/c1-3-20-13(19)8-12(21)14(16(22)23-4-2)15(20)9-5-6-10(17)11(18)7-9/h5-8H,3-4H2,1-2H3
InChIKeyXGVWVAZKKPWRGX-UHFFFAOYSA-N
XLogP4.62
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.10
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze ethyl 2-(3,4-dichlorophenyl)-1-ethyl-6-iodo-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

2-(3,4-dichlorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid
CID 14075314
ethyl 2-(3,4-dichlorophenyl)-1-ethyl-6-[[4-(methoxyamino)-5-methylpyrazol-1-yl]methyl]-4-oxopyridine-3-carboxylate
CID 168932786
ethyl 2-(3,4-dichlorophenyl)-1-ethyl-6-[(5-nitroimidazol-1-yl)methyl]-4-oxopyridine-3-carboxylate
CID 168932844
2-(3,4-dichlorophenyl)-6-ethoxy-1-ethyl-4-oxopyridine-3-carboxylic acid
CID 170604862
ethyl 2,6-bis(4-chlorophenyl)-1-methyl-4-oxopyridine-3-carboxylate
CID 22159888
ethyl 5-chloro-4-(3,4-dichlorophenyl)-1,6-dimethyl-2-oxopyridine-3-carboxylate
CID 169258499
2-(3,4-dichlorophenyl)-5-(3-ethoxy-5-methylphenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid
CID 163388146
2-(3,4-dichlorophenyl)-1-ethyl-6-[(6-methylpyridazin-3-yl)methyl]-4-oxopyridine-3-carboxylic acid
CID 170604688
2-(3,4-dichlorophenyl)-1-ethyl-5-[4-(methoxymethyl)phenyl]-6-methyl-4-oxopyridine-3-carboxylic acid
CID 163388188
2-(3,4-dichlorophenyl)-1-ethyl-6-methyl-4-oxo-5-phenylpyridine-3-carboxylic acid
CID 163387995
2-(3,4-dichlorophenyl)-1-ethyl-6-(2-fluorophenoxy)-4-oxopyridine-3-carboxylic acid
CID 170604934
2-(3,4-dichlorophenyl)-1-ethyl-6-[(5-methyl-3-oxo-1H-pyrazol-2-yl)methyl]-4-oxopyridine-3-carboxylic acid
CID 168932864

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,4-dichlorophenyl)-1-ethyl-6-iodo-4-oxopyridine-3-carboxylate?
The IUPAC name of ethyl 2-(3,4-dichlorophenyl)-1-ethyl-6-iodo-4-oxopyridine-3-carboxylate (CID 170604899) is ethyl 2-(3,4-dichlorophenyl)-1-ethyl-6-iodo-4-oxopyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(3,4-dichlorophenyl)-1-ethyl-6-iodo-4-oxopyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(3,4-dichlorophenyl)-1-ethyl-6-iodo-4-oxopyridine-3-carboxylate is CCOC(=O)c1c(-c2ccc(Cl)c(Cl)c2)n(CC)c(I)cc1=O.
What is the InChIKey of ethyl 2-(3,4-dichlorophenyl)-1-ethyl-6-iodo-4-oxopyridine-3-carboxylate?
The InChIKey is XGVWVAZKKPWRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2INO3/c1-3-20-13(19)8-12(21)14(16(22)23-4-2)15(20)9-5-6-10(17)11(18)7-9/h5-8H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(3,4-dichlorophenyl)-1-ethyl-6-iodo-4-oxopyridine-3-carboxylate?
ethyl 2-(3,4-dichlorophenyl)-1-ethyl-6-iodo-4-oxopyridine-3-carboxylate has a molecular weight of 466.10 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,4-dichlorophenyl)-1-ethyl-6-iodo-4-oxopyridine-3-carboxylate is sourced from PubChem (CID 170604899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).