5-hydroxy-4-oxo-2-phenyl-3H-pyridine-6-carboxylic acid

C12H9NO4 — CID 130407669

IUPAC5-hydroxy-4-oxo-2-phenyl-3H-pyridine-6-carboxylic acid
SMILESO=C(O)C1=C(O)C(=O)CC(c2ccccc2)=N1
InChIInChI=1S/C12H9NO4/c14-9-6-8(7-4-2-1-3-5-7)13-10(11(9)15)12(16)17/h1-5,15H,6H2,(H,16,17)
InChIKeyVERHPMMBUKMDOJ-UHFFFAOYSA-N
MW231.21 g/mol
LogP1.30
Rot. Bonds2

About 5-hydroxy-4-oxo-2-phenyl-3H-pyridine-6-carboxylic acid

5-hydroxy-4-oxo-2-phenyl-3H-pyridine-6-carboxylic acid (PubChem CID 130407669) has the molecular formula C12H9NO4 and a molecular weight of 231.21 g/mol. Its IUPAC name is 5-hydroxy-4-oxo-2-phenyl-3H-pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-4-oxo-2-phenyl-3H-pyridine-6-carboxylic acid
PubChem CID130407669
Molecular FormulaC12H9NO4
Molecular Weight231.21 g/mol
Exact Mass231.05
IUPAC Name5-hydroxy-4-oxo-2-phenyl-3H-pyridine-6-carboxylic acid
SMILESO=C(O)C1=C(O)C(=O)CC(c2ccccc2)=N1
InChIInChI=1S/C12H9NO4/c14-9-6-8(7-4-2-1-3-5-7)13-10(11(9)15)12(16)17/h1-5,15H,6H2,(H,16,17)
InChIKeyVERHPMMBUKMDOJ-UHFFFAOYSA-N
XLogP1.30
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-oxo-2-phenyl-3H-pyridine-6-carboxylic acid?
The IUPAC name of 5-hydroxy-4-oxo-2-phenyl-3H-pyridine-6-carboxylic acid (CID 130407669) is 5-hydroxy-4-oxo-2-phenyl-3H-pyridine-6-carboxylic acid.
What is the SMILES notation for 5-hydroxy-4-oxo-2-phenyl-3H-pyridine-6-carboxylic acid?
The canonical SMILES for 5-hydroxy-4-oxo-2-phenyl-3H-pyridine-6-carboxylic acid is O=C(O)C1=C(O)C(=O)CC(c2ccccc2)=N1.
What is the InChIKey of 5-hydroxy-4-oxo-2-phenyl-3H-pyridine-6-carboxylic acid?
The InChIKey is VERHPMMBUKMDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO4/c14-9-6-8(7-4-2-1-3-5-7)13-10(11(9)15)12(16)17/h1-5,15H,6H2,(H,16,17).
What are the key properties of 5-hydroxy-4-oxo-2-phenyl-3H-pyridine-6-carboxylic acid?
5-hydroxy-4-oxo-2-phenyl-3H-pyridine-6-carboxylic acid has a molecular weight of 231.21 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-oxo-2-phenyl-3H-pyridine-6-carboxylic acid is sourced from PubChem (CID 130407669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).