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

C13H11NO4 — CID 130407823

IUPAC5-hydroxy-2-(2-methylphenyl)-4-oxo-3H-pyridine-6-carboxylic acid
SMILESCc1ccccc1C1=NC(C(=O)O)=C(O)C(=O)C1
InChIInChI=1S/C13H11NO4/c1-7-4-2-3-5-8(7)9-6-10(15)12(16)11(14-9)13(17)18/h2-5,16H,6H2,1H3,(H,17,18)
InChIKeyHKLSWDCSWYXBNS-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.61
Rot. Bonds2

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

5-hydroxy-2-(2-methylphenyl)-4-oxo-3H-pyridine-6-carboxylic acid (PubChem CID 130407823) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is 5-hydroxy-2-(2-methylphenyl)-4-oxo-3H-pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-2-(2-methylphenyl)-4-oxo-3H-pyridine-6-carboxylic acid
PubChem CID130407823
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name5-hydroxy-2-(2-methylphenyl)-4-oxo-3H-pyridine-6-carboxylic acid
SMILESCc1ccccc1C1=NC(C(=O)O)=C(O)C(=O)C1
InChIInChI=1S/C13H11NO4/c1-7-4-2-3-5-8(7)9-6-10(15)12(16)11(14-9)13(17)18/h2-5,16H,6H2,1H3,(H,17,18)
InChIKeyHKLSWDCSWYXBNS-UHFFFAOYSA-N
XLogP1.61
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-Dimethyl-4-phenyl-3,4-dihydropyridine-3,5-dicarboxylic acid
CID 54203754
2-(3-fluorophenyl)-5-(1-hydroxyethenyl)-3H-pyrrole-4-carboxylic acid
CID 165023312
4-Benzyl-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid
CID 53678642
4-[2-(3-Hydroxy-3-methylbut-1-ynyl)phenyl]-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid
CID 53686671
2,6-Dimethyl-4-(1-phenylethyl)-3,4-dihydropyridine-3,5-dicarboxylic acid
CID 53923541
3,6-Dimethyl-4-phenyl-3,4-dihydropyridine-2,5-dicarboxylic acid
CID 54270356
4-[2-(2-Carboxyethenyl)phenyl]-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid
CID 54403362
2,6-Dimethyl-4-(2-methylphenyl)-3,4-dihydropyridine-3,5-dicarboxylic acid
CID 56631700
2,6-dimethyl-4-oxo-3-phenyl-3H-pyridine-5-carboxylic acid
CID 70373523
2-(3-carboxyphenyl)-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid
CID 130407652
5-hydroxy-4-oxo-2-phenyl-3H-pyridine-6-carboxylic acid
CID 130407669
2-(4-carboxyphenyl)-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid
CID 130407825

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(2-methylphenyl)-4-oxo-3H-pyridine-6-carboxylic acid?
The IUPAC name of 5-hydroxy-2-(2-methylphenyl)-4-oxo-3H-pyridine-6-carboxylic acid (CID 130407823) is 5-hydroxy-2-(2-methylphenyl)-4-oxo-3H-pyridine-6-carboxylic acid.
What is the SMILES notation for 5-hydroxy-2-(2-methylphenyl)-4-oxo-3H-pyridine-6-carboxylic acid?
The canonical SMILES for 5-hydroxy-2-(2-methylphenyl)-4-oxo-3H-pyridine-6-carboxylic acid is Cc1ccccc1C1=NC(C(=O)O)=C(O)C(=O)C1.
What is the InChIKey of 5-hydroxy-2-(2-methylphenyl)-4-oxo-3H-pyridine-6-carboxylic acid?
The InChIKey is HKLSWDCSWYXBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c1-7-4-2-3-5-8(7)9-6-10(15)12(16)11(14-9)13(17)18/h2-5,16H,6H2,1H3,(H,17,18).
What are the key properties of 5-hydroxy-2-(2-methylphenyl)-4-oxo-3H-pyridine-6-carboxylic acid?
5-hydroxy-2-(2-methylphenyl)-4-oxo-3H-pyridine-6-carboxylic acid has a molecular weight of 245.23 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(2-methylphenyl)-4-oxo-3H-pyridine-6-carboxylic acid is sourced from PubChem (CID 130407823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).