2-(3-carboxyphenyl)-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid

C13H9NO6 — CID 130407652

IUPAC2-(3-carboxyphenyl)-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid
SMILESO=C(O)C1=C(O)C(=O)CC(c2cccc(C(=O)O)c2)=N1
InChIInChI=1S/C13H9NO6/c15-9-5-8(14-10(11(9)16)13(19)20)6-2-1-3-7(4-6)12(17)18/h1-4,16H,5H2,(H,17,18)(H,19,20)
InChIKeyXZZWPXDURITCMF-UHFFFAOYSA-N
MW275.22 g/mol
LogP1.00
Rot. Bonds3

About 2-(3-carboxyphenyl)-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid

2-(3-carboxyphenyl)-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid (PubChem CID 130407652) has the molecular formula C13H9NO6 and a molecular weight of 275.22 g/mol. Its IUPAC name is 2-(3-carboxyphenyl)-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(3-carboxyphenyl)-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid
PubChem CID130407652
Molecular FormulaC13H9NO6
Molecular Weight275.22 g/mol
Exact Mass275.04
IUPAC Name2-(3-carboxyphenyl)-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid
SMILESO=C(O)C1=C(O)C(=O)CC(c2cccc(C(=O)O)c2)=N1
InChIInChI=1S/C13H9NO6/c15-9-5-8(14-10(11(9)16)13(19)20)6-2-1-3-7(4-6)12(17)18/h1-4,16H,5H2,(H,17,18)(H,19,20)
InChIKeyXZZWPXDURITCMF-UHFFFAOYSA-N
XLogP1.00
TPSA124.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-carboxyphenyl)-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid?
The IUPAC name of 2-(3-carboxyphenyl)-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid (CID 130407652) is 2-(3-carboxyphenyl)-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(3-carboxyphenyl)-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid?
The canonical SMILES for 2-(3-carboxyphenyl)-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid is O=C(O)C1=C(O)C(=O)CC(c2cccc(C(=O)O)c2)=N1.
What is the InChIKey of 2-(3-carboxyphenyl)-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid?
The InChIKey is XZZWPXDURITCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO6/c15-9-5-8(14-10(11(9)16)13(19)20)6-2-1-3-7(4-6)12(17)18/h1-4,16H,5H2,(H,17,18)(H,19,20).
What are the key properties of 2-(3-carboxyphenyl)-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid?
2-(3-carboxyphenyl)-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid has a molecular weight of 275.22 g/mol, XLogP of 1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carboxyphenyl)-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid is sourced from PubChem (CID 130407652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).