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

C14H11NO6 — CID 138539266

IUPAC6-(4-carboxy-2-methylphenyl)-3-hydroxy-4-oxo-1H-pyridine-2-carboxylic acid
SMILESCc1cc(C(=O)O)ccc1-c1cc(=O)c(O)c(C(=O)O)[nH]1
InChIInChI=1S/C14H11NO6/c1-6-4-7(13(18)19)2-3-8(6)9-5-10(16)12(17)11(15-9)14(20)21/h2-5,17H,1H3,(H,15,16)(H,18,19)(H,20,21)
InChIKeySWEWMDUQEJZUMC-UHFFFAOYSA-N
MW289.24 g/mol
LogP1.45
Rot. Bonds3

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

6-(4-carboxy-2-methylphenyl)-3-hydroxy-4-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 138539266) has the molecular formula C14H11NO6 and a molecular weight of 289.24 g/mol. Its IUPAC name is 6-(4-carboxy-2-methylphenyl)-3-hydroxy-4-oxo-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-carboxy-2-methylphenyl)-3-hydroxy-4-oxo-1H-pyridine-2-carboxylic acid
PubChem CID138539266
Molecular FormulaC14H11NO6
Molecular Weight289.24 g/mol
Exact Mass289.06
IUPAC Name6-(4-carboxy-2-methylphenyl)-3-hydroxy-4-oxo-1H-pyridine-2-carboxylic acid
SMILESCc1cc(C(=O)O)ccc1-c1cc(=O)c(O)c(C(=O)O)[nH]1
InChIInChI=1S/C14H11NO6/c1-6-4-7(13(18)19)2-3-8(6)9-5-10(16)12(17)11(15-9)14(20)21/h2-5,17H,1H3,(H,15,16)(H,18,19)(H,20,21)
InChIKeySWEWMDUQEJZUMC-UHFFFAOYSA-N
XLogP1.45
TPSA127.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 51.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 6-(4-carboxy-2-methylphenyl)-3-hydroxy-4-oxo-1H-pyridine-2-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 6-(4-carboxy-2-methylphenyl)-3-hydroxy-4-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of 6-(4-carboxy-2-methylphenyl)-3-hydroxy-4-oxo-1H-pyridine-2-carboxylic acid (CID 138539266) is 6-(4-carboxy-2-methylphenyl)-3-hydroxy-4-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(4-carboxy-2-methylphenyl)-3-hydroxy-4-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 6-(4-carboxy-2-methylphenyl)-3-hydroxy-4-oxo-1H-pyridine-2-carboxylic acid is Cc1cc(C(=O)O)ccc1-c1cc(=O)c(O)c(C(=O)O)[nH]1.
What is the InChIKey of 6-(4-carboxy-2-methylphenyl)-3-hydroxy-4-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is SWEWMDUQEJZUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO6/c1-6-4-7(13(18)19)2-3-8(6)9-5-10(16)12(17)11(15-9)14(20)21/h2-5,17H,1H3,(H,15,16)(H,18,19)(H,20,21).
What are the key properties of 6-(4-carboxy-2-methylphenyl)-3-hydroxy-4-oxo-1H-pyridine-2-carboxylic acid?
6-(4-carboxy-2-methylphenyl)-3-hydroxy-4-oxo-1H-pyridine-2-carboxylic acid has a molecular weight of 289.24 g/mol, XLogP of 1.45, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-carboxy-2-methylphenyl)-3-hydroxy-4-oxo-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 138539266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).