3-(2-fluoroanilino)pyridine-2,4-dicarboxylic acid

C13H9FN2O4 — CID 50916282

IUPAC3-(2-fluoroanilino)pyridine-2,4-dicarboxylic acid
SMILESO=C(O)c1ccnc(C(=O)O)c1Nc1ccccc1F
InChIInChI=1S/C13H9FN2O4/c14-8-3-1-2-4-9(8)16-10-7(12(17)18)5-6-15-11(10)13(19)20/h1-6,16H,(H,17,18)(H,19,20)
InChIKeyZSDLAGPKXVKDRU-UHFFFAOYSA-N
MW276.22 g/mol
LogP2.36
Rot. Bonds4

About 3-(2-fluoroanilino)pyridine-2,4-dicarboxylic acid

3-(2-fluoroanilino)pyridine-2,4-dicarboxylic acid (PubChem CID 50916282) has the molecular formula C13H9FN2O4 and a molecular weight of 276.22 g/mol. Its IUPAC name is 3-(2-fluoroanilino)pyridine-2,4-dicarboxylic acid.

Molecular Properties

Compound Name3-(2-fluoroanilino)pyridine-2,4-dicarboxylic acid
PubChem CID50916282
Molecular FormulaC13H9FN2O4
Molecular Weight276.22 g/mol
Exact Mass276.05
IUPAC Name3-(2-fluoroanilino)pyridine-2,4-dicarboxylic acid
SMILESO=C(O)c1ccnc(C(=O)O)c1Nc1ccccc1F
InChIInChI=1S/C13H9FN2O4/c14-8-3-1-2-4-9(8)16-10-7(12(17)18)5-6-15-11(10)13(19)20/h1-6,16H,(H,17,18)(H,19,20)
InChIKeyZSDLAGPKXVKDRU-UHFFFAOYSA-N
XLogP2.36
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroanilino)pyridine-2,4-dicarboxylic acid?
The IUPAC name of 3-(2-fluoroanilino)pyridine-2,4-dicarboxylic acid (CID 50916282) is 3-(2-fluoroanilino)pyridine-2,4-dicarboxylic acid.
What is the SMILES notation for 3-(2-fluoroanilino)pyridine-2,4-dicarboxylic acid?
The canonical SMILES for 3-(2-fluoroanilino)pyridine-2,4-dicarboxylic acid is O=C(O)c1ccnc(C(=O)O)c1Nc1ccccc1F.
What is the InChIKey of 3-(2-fluoroanilino)pyridine-2,4-dicarboxylic acid?
The InChIKey is ZSDLAGPKXVKDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O4/c14-8-3-1-2-4-9(8)16-10-7(12(17)18)5-6-15-11(10)13(19)20/h1-6,16H,(H,17,18)(H,19,20).
What are the key properties of 3-(2-fluoroanilino)pyridine-2,4-dicarboxylic acid?
3-(2-fluoroanilino)pyridine-2,4-dicarboxylic acid has a molecular weight of 276.22 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroanilino)pyridine-2,4-dicarboxylic acid is sourced from PubChem (CID 50916282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).