6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1H-pyridine-2-carboxylic acid

C13H9NO6 — CID 130423213

IUPAC6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2cc(=O)c(O)c(C(=O)O)[nH]2)c1
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/h1-5,16H,(H,14,15)(H,17,18)(H,19,20)
InChIKeyCHARUKBQSGEOIG-UHFFFAOYSA-N
MW275.22 g/mol
LogP1.14
Rot. Bonds3

About 6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1H-pyridine-2-carboxylic acid

6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 130423213) has the molecular formula C13H9NO6 and a molecular weight of 275.22 g/mol. Its IUPAC name is 6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1H-pyridine-2-carboxylic acid
PubChem CID130423213
Molecular FormulaC13H9NO6
Molecular Weight275.22 g/mol
Exact Mass275.04
IUPAC Name6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2cc(=O)c(O)c(C(=O)O)[nH]2)c1
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/h1-5,16H,(H,14,15)(H,17,18)(H,19,20)
InChIKeyCHARUKBQSGEOIG-UHFFFAOYSA-N
XLogP1.14
TPSA127.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 51.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of 6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1H-pyridine-2-carboxylic acid (CID 130423213) is 6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1H-pyridine-2-carboxylic acid is O=C(O)c1cccc(-c2cc(=O)c(O)c(C(=O)O)[nH]2)c1.
What is the InChIKey of 6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is CHARUKBQSGEOIG-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/h1-5,16H,(H,14,15)(H,17,18)(H,19,20).
What are the key properties of 6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1H-pyridine-2-carboxylic acid?
6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1H-pyridine-2-carboxylic acid has a molecular weight of 275.22 g/mol, XLogP of 1.14, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 130423213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).