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

C13H11NO4 — CID 138539286

IUPAC3-hydroxy-6-(4-methylphenyl)-4-oxo-1H-pyridine-2-carboxylic acid
SMILESCc1ccc(-c2cc(=O)c(O)c(C(=O)O)[nH]2)cc1
InChIInChI=1S/C13H11NO4/c1-7-2-4-8(5-3-7)9-6-10(15)12(16)11(14-9)13(17)18/h2-6,16H,1H3,(H,14,15)(H,17,18)
InChIKeyWYWAZZIFKZZVRR-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.75
Rot. Bonds2

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

3-hydroxy-6-(4-methylphenyl)-4-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 138539286) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is 3-hydroxy-6-(4-methylphenyl)-4-oxo-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-6-(4-methylphenyl)-4-oxo-1H-pyridine-2-carboxylic acid
PubChem CID138539286
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name3-hydroxy-6-(4-methylphenyl)-4-oxo-1H-pyridine-2-carboxylic acid
SMILESCc1ccc(-c2cc(=O)c(O)c(C(=O)O)[nH]2)cc1
InChIInChI=1S/C13H11NO4/c1-7-2-4-8(5-3-7)9-6-10(15)12(16)11(14-9)13(17)18/h2-6,16H,1H3,(H,14,15)(H,17,18)
InChIKeyWYWAZZIFKZZVRR-UHFFFAOYSA-N
XLogP1.75
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-(4-methylphenyl)-4-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of 3-hydroxy-6-(4-methylphenyl)-4-oxo-1H-pyridine-2-carboxylic acid (CID 138539286) is 3-hydroxy-6-(4-methylphenyl)-4-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-6-(4-methylphenyl)-4-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-6-(4-methylphenyl)-4-oxo-1H-pyridine-2-carboxylic acid is Cc1ccc(-c2cc(=O)c(O)c(C(=O)O)[nH]2)cc1.
What is the InChIKey of 3-hydroxy-6-(4-methylphenyl)-4-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is WYWAZZIFKZZVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c1-7-2-4-8(5-3-7)9-6-10(15)12(16)11(14-9)13(17)18/h2-6,16H,1H3,(H,14,15)(H,17,18).
What are the key properties of 3-hydroxy-6-(4-methylphenyl)-4-oxo-1H-pyridine-2-carboxylic acid?
3-hydroxy-6-(4-methylphenyl)-4-oxo-1H-pyridine-2-carboxylic acid has a molecular weight of 245.23 g/mol, XLogP of 1.75, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-(4-methylphenyl)-4-oxo-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 138539286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).