5-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid

C21H16Cl2FNO3 — CID 163388170

IUPAC5-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid
SMILESCCn1c(C)c(-c2ccc(Cl)c(F)c2)c(=O)c(C(=O)O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C21H16Cl2FNO3/c1-3-25-11(2)17(13-6-9-15(23)16(24)10-13)20(26)18(21(27)28)19(25)12-4-7-14(22)8-5-12/h4-10H,3H2,1-2H3,(H,27,28)
InChIKeyVKDCPDARLJZTQT-UHFFFAOYSA-N
MW420.27 g/mol
LogP5.65
Rot. Bonds4

About 5-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid

5-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid (PubChem CID 163388170) has the molecular formula C21H16Cl2FNO3 and a molecular weight of 420.27 g/mol. Its IUPAC name is 5-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid
PubChem CID163388170
Molecular FormulaC21H16Cl2FNO3
Molecular Weight420.27 g/mol
Exact Mass419.05
IUPAC Name5-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid
SMILESCCn1c(C)c(-c2ccc(Cl)c(F)c2)c(=O)c(C(=O)O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C21H16Cl2FNO3/c1-3-25-11(2)17(13-6-9-15(23)16(24)10-13)20(26)18(21(27)28)19(25)12-4-7-14(22)8-5-12/h4-10H,3H2,1-2H3,(H,27,28)
InChIKeyVKDCPDARLJZTQT-UHFFFAOYSA-N
XLogP5.65
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.27
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)-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 5-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 5-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid (CID 163388170) is 5-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 5-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 5-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid is CCn1c(C)c(-c2ccc(Cl)c(F)c2)c(=O)c(C(=O)O)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid?
The InChIKey is VKDCPDARLJZTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2FNO3/c1-3-25-11(2)17(13-6-9-15(23)16(24)10-13)20(26)18(21(27)28)19(25)12-4-7-14(22)8-5-12/h4-10H,3H2,1-2H3,(H,27,28).
What are the key properties of 5-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid?
5-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid has a molecular weight of 420.27 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 163388170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).