2-(3,4-dichlorophenyl)-5-(3,4-difluorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid

C21H15Cl2F2NO3 — CID 163387947

IUPAC2-(3,4-dichlorophenyl)-5-(3,4-difluorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid
SMILESCCn1c(C)c(-c2ccc(F)c(F)c2)c(=O)c(C(=O)O)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H15Cl2F2NO3/c1-3-26-10(2)17(11-5-7-15(24)16(25)9-11)20(27)18(21(28)29)19(26)12-4-6-13(22)14(23)8-12/h4-9H,3H2,1-2H3,(H,28,29)
InChIKeyZCLIJORKKVLIET-UHFFFAOYSA-N
MW438.26 g/mol
LogP5.79
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-5-(3,4-difluorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid

2-(3,4-dichlorophenyl)-5-(3,4-difluorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid (PubChem CID 163387947) has the molecular formula C21H15Cl2F2NO3 and a molecular weight of 438.26 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-5-(3,4-difluorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-5-(3,4-difluorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid
PubChem CID163387947
Molecular FormulaC21H15Cl2F2NO3
Molecular Weight438.26 g/mol
Exact Mass437.04
IUPAC Name2-(3,4-dichlorophenyl)-5-(3,4-difluorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid
SMILESCCn1c(C)c(-c2ccc(F)c(F)c2)c(=O)c(C(=O)O)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H15Cl2F2NO3/c1-3-26-10(2)17(11-5-7-15(24)16(25)9-11)20(27)18(21(28)29)19(26)12-4-6-13(22)14(23)8-12/h4-9H,3H2,1-2H3,(H,28,29)
InChIKeyZCLIJORKKVLIET-UHFFFAOYSA-N
XLogP5.79
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.26
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-dichlorophenyl)-5-(3,4-difluorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid 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 2-(3,4-dichlorophenyl)-5-(3,4-difluorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 2-(3,4-dichlorophenyl)-5-(3,4-difluorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid (CID 163387947) is 2-(3,4-dichlorophenyl)-5-(3,4-difluorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-5-(3,4-difluorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 2-(3,4-dichlorophenyl)-5-(3,4-difluorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid is CCn1c(C)c(-c2ccc(F)c(F)c2)c(=O)c(C(=O)O)c1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-5-(3,4-difluorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid?
The InChIKey is ZCLIJORKKVLIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2F2NO3/c1-3-26-10(2)17(11-5-7-15(24)16(25)9-11)20(27)18(21(28)29)19(26)12-4-6-13(22)14(23)8-12/h4-9H,3H2,1-2H3,(H,28,29).
What are the key properties of 2-(3,4-dichlorophenyl)-5-(3,4-difluorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid?
2-(3,4-dichlorophenyl)-5-(3,4-difluorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid has a molecular weight of 438.26 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-5-(3,4-difluorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 163387947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).