4-hydroxy-5-phenylpyridine-2,3,6-trione

C11H7NO4 — CID 54706579

IUPAC4-hydroxy-5-phenylpyridine-2,3,6-trione
SMILESO=C1NC(=O)C(c2ccccc2)=C(O)C1=O
InChIInChI=1S/C11H7NO4/c13-8-7(6-4-2-1-3-5-6)10(15)12-11(16)9(8)14/h1-5,13H,(H,12,15,16)
InChIKeyYATIDZAUEQCQTM-UHFFFAOYSA-N
MW217.18 g/mol
LogP0.18
Rot. Bonds1

About 4-hydroxy-5-phenylpyridine-2,3,6-trione

4-hydroxy-5-phenylpyridine-2,3,6-trione (PubChem CID 54706579) has the molecular formula C11H7NO4 and a molecular weight of 217.18 g/mol. Its IUPAC name is 4-hydroxy-5-phenylpyridine-2,3,6-trione.

Molecular Properties

Compound Name4-hydroxy-5-phenylpyridine-2,3,6-trione
PubChem CID54706579
Molecular FormulaC11H7NO4
Molecular Weight217.18 g/mol
Exact Mass217.04
IUPAC Name4-hydroxy-5-phenylpyridine-2,3,6-trione
SMILESO=C1NC(=O)C(c2ccccc2)=C(O)C1=O
InChIInChI=1S/C11H7NO4/c13-8-7(6-4-2-1-3-5-6)10(15)12-11(16)9(8)14/h1-5,13H,(H,12,15,16)
InChIKeyYATIDZAUEQCQTM-UHFFFAOYSA-N
XLogP0.18
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-hydroxy-5-phenylpyridine-2,3,6-trione 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 4-hydroxy-5-phenylpyridine-2,3,6-trione?
The IUPAC name of 4-hydroxy-5-phenylpyridine-2,3,6-trione (CID 54706579) is 4-hydroxy-5-phenylpyridine-2,3,6-trione.
What is the SMILES notation for 4-hydroxy-5-phenylpyridine-2,3,6-trione?
The canonical SMILES for 4-hydroxy-5-phenylpyridine-2,3,6-trione is O=C1NC(=O)C(c2ccccc2)=C(O)C1=O.
What is the InChIKey of 4-hydroxy-5-phenylpyridine-2,3,6-trione?
The InChIKey is YATIDZAUEQCQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO4/c13-8-7(6-4-2-1-3-5-6)10(15)12-11(16)9(8)14/h1-5,13H,(H,12,15,16).
What are the key properties of 4-hydroxy-5-phenylpyridine-2,3,6-trione?
4-hydroxy-5-phenylpyridine-2,3,6-trione has a molecular weight of 217.18 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-phenylpyridine-2,3,6-trione is sourced from PubChem (CID 54706579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).