2-(4-fluoroanilino)pyridine-3-carboxylic acid

C24H18F2N4O4 — CID 139144734

IUPAC2-(4-fluoroanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Nc1ccc(F)cc1.O=C(O)c1cccnc1Nc1ccc(F)cc1
InChIInChI=1S/2C12H9FN2O2/c2*13-8-3-5-9(6-4-8)15-11-10(12(16)17)2-1-7-14-11/h2*1-7H,(H,14,15)(H,16,17)
InChIKeyPEXZTOYJPSYFSO-UHFFFAOYSA-N
MW464.43 g/mol
LogP5.32
Rot. Bonds6

About 2-(4-fluoroanilino)pyridine-3-carboxylic acid

2-(4-fluoroanilino)pyridine-3-carboxylic acid (PubChem CID 139144734) has the molecular formula C24H18F2N4O4 and a molecular weight of 464.43 g/mol. Its IUPAC name is 2-(4-fluoroanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluoroanilino)pyridine-3-carboxylic acid
PubChem CID139144734
Molecular FormulaC24H18F2N4O4
Molecular Weight464.43 g/mol
Exact Mass464.13
IUPAC Name2-(4-fluoroanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Nc1ccc(F)cc1.O=C(O)c1cccnc1Nc1ccc(F)cc1
InChIInChI=1S/2C12H9FN2O2/c2*13-8-3-5-9(6-4-8)15-11-10(12(16)17)2-1-7-14-11/h2*1-7H,(H,14,15)(H,16,17)
InChIKeyPEXZTOYJPSYFSO-UHFFFAOYSA-N
XLogP5.32
TPSA124.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.43
LogP ≤ 55.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-(4-fluoroanilino)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 2-(4-fluoroanilino)pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-fluoroanilino)pyridine-3-carboxylic acid (CID 139144734) is 2-(4-fluoroanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-fluoroanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-fluoroanilino)pyridine-3-carboxylic acid is O=C(O)c1cccnc1Nc1ccc(F)cc1.O=C(O)c1cccnc1Nc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluoroanilino)pyridine-3-carboxylic acid?
The InChIKey is PEXZTOYJPSYFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H9FN2O2/c2*13-8-3-5-9(6-4-8)15-11-10(12(16)17)2-1-7-14-11/h2*1-7H,(H,14,15)(H,16,17).
What are the key properties of 2-(4-fluoroanilino)pyridine-3-carboxylic acid?
2-(4-fluoroanilino)pyridine-3-carboxylic acid has a molecular weight of 464.43 g/mol, XLogP of 5.32, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 139144734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).