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

C15H15NO4 — CID 138539267

IUPAC3-hydroxy-4-oxo-6-(2-propan-2-ylphenyl)-1H-pyridine-2-carboxylic acid
SMILESCC(C)c1ccccc1-c1cc(=O)c(O)c(C(=O)O)[nH]1
InChIInChI=1S/C15H15NO4/c1-8(2)9-5-3-4-6-10(9)11-7-12(17)14(18)13(16-11)15(19)20/h3-8,18H,1-2H3,(H,16,17)(H,19,20)
InChIKeyFQFYXLCHFZGZPM-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.57
Rot. Bonds3

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

3-hydroxy-4-oxo-6-(2-propan-2-ylphenyl)-1H-pyridine-2-carboxylic acid (PubChem CID 138539267) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-hydroxy-4-oxo-6-(2-propan-2-ylphenyl)-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-4-oxo-6-(2-propan-2-ylphenyl)-1H-pyridine-2-carboxylic acid
PubChem CID138539267
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name3-hydroxy-4-oxo-6-(2-propan-2-ylphenyl)-1H-pyridine-2-carboxylic acid
SMILESCC(C)c1ccccc1-c1cc(=O)c(O)c(C(=O)O)[nH]1
InChIInChI=1S/C15H15NO4/c1-8(2)9-5-3-4-6-10(9)11-7-12(17)14(18)13(16-11)15(19)20/h3-8,18H,1-2H3,(H,16,17)(H,19,20)
InChIKeyFQFYXLCHFZGZPM-UHFFFAOYSA-N
XLogP2.57
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-hydroxy-4-oxo-6-(2-propan-2-ylphenyl)-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 3-hydroxy-4-oxo-6-(2-propan-2-ylphenyl)-1H-pyridine-2-carboxylic acid?
The IUPAC name of 3-hydroxy-4-oxo-6-(2-propan-2-ylphenyl)-1H-pyridine-2-carboxylic acid (CID 138539267) is 3-hydroxy-4-oxo-6-(2-propan-2-ylphenyl)-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-4-oxo-6-(2-propan-2-ylphenyl)-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-4-oxo-6-(2-propan-2-ylphenyl)-1H-pyridine-2-carboxylic acid is CC(C)c1ccccc1-c1cc(=O)c(O)c(C(=O)O)[nH]1.
What is the InChIKey of 3-hydroxy-4-oxo-6-(2-propan-2-ylphenyl)-1H-pyridine-2-carboxylic acid?
The InChIKey is FQFYXLCHFZGZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-8(2)9-5-3-4-6-10(9)11-7-12(17)14(18)13(16-11)15(19)20/h3-8,18H,1-2H3,(H,16,17)(H,19,20).
What are the key properties of 3-hydroxy-4-oxo-6-(2-propan-2-ylphenyl)-1H-pyridine-2-carboxylic acid?
3-hydroxy-4-oxo-6-(2-propan-2-ylphenyl)-1H-pyridine-2-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 2.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-oxo-6-(2-propan-2-ylphenyl)-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 138539267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).