5-chloro-2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid

C18H10Cl2F2N2O2 — CID 24989024

IUPAC5-chloro-2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(Cl)cnc1Nc1c(F)cc(-c2ccccc2Cl)cc1F
InChIInChI=1S/C18H10Cl2F2N2O2/c19-10-7-12(18(25)26)17(23-8-10)24-16-14(21)5-9(6-15(16)22)11-3-1-2-4-13(11)20/h1-8H,(H,23,24)(H,25,26)
InChIKeyJJIYPBAZCSTZOX-UHFFFAOYSA-N
MW395.19 g/mol
LogP5.78
Rot. Bonds4

About 5-chloro-2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid

5-chloro-2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid (PubChem CID 24989024) has the molecular formula C18H10Cl2F2N2O2 and a molecular weight of 395.19 g/mol. Its IUPAC name is 5-chloro-2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid
PubChem CID24989024
Molecular FormulaC18H10Cl2F2N2O2
Molecular Weight395.19 g/mol
Exact Mass394.01
IUPAC Name5-chloro-2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(Cl)cnc1Nc1c(F)cc(-c2ccccc2Cl)cc1F
InChIInChI=1S/C18H10Cl2F2N2O2/c19-10-7-12(18(25)26)17(23-8-10)24-16-14(21)5-9(6-15(16)22)11-3-1-2-4-13(11)20/h1-8H,(H,23,24)(H,25,26)
InChIKeyJJIYPBAZCSTZOX-UHFFFAOYSA-N
XLogP5.78
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.19
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-chloro-2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-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-chloro-2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid (CID 24989024) is 5-chloro-2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid is O=C(O)c1cc(Cl)cnc1Nc1c(F)cc(-c2ccccc2Cl)cc1F.
What is the InChIKey of 5-chloro-2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid?
The InChIKey is JJIYPBAZCSTZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2F2N2O2/c19-10-7-12(18(25)26)17(23-8-10)24-16-14(21)5-9(6-15(16)22)11-3-1-2-4-13(11)20/h1-8H,(H,23,24)(H,25,26).
What are the key properties of 5-chloro-2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid?
5-chloro-2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid has a molecular weight of 395.19 g/mol, XLogP of 5.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid is sourced from PubChem (CID 24989024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).