2-(2,4-difluorophenyl)pyridine-1,2-dicarboxylic acid

C13H9F2NO4 — CID 134249740

IUPAC2-(2,4-difluorophenyl)pyridine-1,2-dicarboxylic acid
SMILESO=C(O)N1C=CC=CC1(C(=O)O)c1ccc(F)cc1F
InChIInChI=1S/C13H9F2NO4/c14-8-3-4-9(10(15)7-8)13(11(17)18)5-1-2-6-16(13)12(19)20/h1-7H,(H,17,18)(H,19,20)
InChIKeyFYFRBCBXXSXDMB-UHFFFAOYSA-N
MW281.21 g/mol
LogP2.31
Rot. Bonds2

About 2-(2,4-difluorophenyl)pyridine-1,2-dicarboxylic acid

2-(2,4-difluorophenyl)pyridine-1,2-dicarboxylic acid (PubChem CID 134249740) has the molecular formula C13H9F2NO4 and a molecular weight of 281.21 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)pyridine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)pyridine-1,2-dicarboxylic acid
PubChem CID134249740
Molecular FormulaC13H9F2NO4
Molecular Weight281.21 g/mol
Exact Mass281.05
IUPAC Name2-(2,4-difluorophenyl)pyridine-1,2-dicarboxylic acid
SMILESO=C(O)N1C=CC=CC1(C(=O)O)c1ccc(F)cc1F
InChIInChI=1S/C13H9F2NO4/c14-8-3-4-9(10(15)7-8)13(11(17)18)5-1-2-6-16(13)12(19)20/h1-7H,(H,17,18)(H,19,20)
InChIKeyFYFRBCBXXSXDMB-UHFFFAOYSA-N
XLogP2.31
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.21
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2,4-difluorophenyl)pyridine-1,2-dicarboxylic 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-(2,4-difluorophenyl)pyridine-1,2-dicarboxylic acid?
The IUPAC name of 2-(2,4-difluorophenyl)pyridine-1,2-dicarboxylic acid (CID 134249740) is 2-(2,4-difluorophenyl)pyridine-1,2-dicarboxylic acid.
What is the SMILES notation for 2-(2,4-difluorophenyl)pyridine-1,2-dicarboxylic acid?
The canonical SMILES for 2-(2,4-difluorophenyl)pyridine-1,2-dicarboxylic acid is O=C(O)N1C=CC=CC1(C(=O)O)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)pyridine-1,2-dicarboxylic acid?
The InChIKey is FYFRBCBXXSXDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO4/c14-8-3-4-9(10(15)7-8)13(11(17)18)5-1-2-6-16(13)12(19)20/h1-7H,(H,17,18)(H,19,20).
What are the key properties of 2-(2,4-difluorophenyl)pyridine-1,2-dicarboxylic acid?
2-(2,4-difluorophenyl)pyridine-1,2-dicarboxylic acid has a molecular weight of 281.21 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)pyridine-1,2-dicarboxylic acid is sourced from PubChem (CID 134249740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).