1-hydroxy-2-oxo-5-phenylpyridine-3-carboxylic acid

C12H9NO4 — CID 11299201

IUPAC1-hydroxy-2-oxo-5-phenylpyridine-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)cn(O)c1=O
InChIInChI=1S/C12H9NO4/c14-11-10(12(15)16)6-9(7-13(11)17)8-4-2-1-3-5-8/h1-7,17H,(H,15,16)
InChIKeyNWXQRLKKRSWBES-UHFFFAOYSA-N
MW231.21 g/mol
LogP1.45
Rot. Bonds2

About 1-hydroxy-2-oxo-5-phenylpyridine-3-carboxylic acid

1-hydroxy-2-oxo-5-phenylpyridine-3-carboxylic acid (PubChem CID 11299201) has the molecular formula C12H9NO4 and a molecular weight of 231.21 g/mol. Its IUPAC name is 1-hydroxy-2-oxo-5-phenylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-2-oxo-5-phenylpyridine-3-carboxylic acid
PubChem CID11299201
Molecular FormulaC12H9NO4
Molecular Weight231.21 g/mol
Exact Mass231.05
IUPAC Name1-hydroxy-2-oxo-5-phenylpyridine-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)cn(O)c1=O
InChIInChI=1S/C12H9NO4/c14-11-10(12(15)16)6-9(7-13(11)17)8-4-2-1-3-5-8/h1-7,17H,(H,15,16)
InChIKeyNWXQRLKKRSWBES-UHFFFAOYSA-N
XLogP1.45
TPSA79.53 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 ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-oxo-5-phenylpyridine-3-carboxylic acid?
The IUPAC name of 1-hydroxy-2-oxo-5-phenylpyridine-3-carboxylic acid (CID 11299201) is 1-hydroxy-2-oxo-5-phenylpyridine-3-carboxylic acid.
What is the SMILES notation for 1-hydroxy-2-oxo-5-phenylpyridine-3-carboxylic acid?
The canonical SMILES for 1-hydroxy-2-oxo-5-phenylpyridine-3-carboxylic acid is O=C(O)c1cc(-c2ccccc2)cn(O)c1=O.
What is the InChIKey of 1-hydroxy-2-oxo-5-phenylpyridine-3-carboxylic acid?
The InChIKey is NWXQRLKKRSWBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO4/c14-11-10(12(15)16)6-9(7-13(11)17)8-4-2-1-3-5-8/h1-7,17H,(H,15,16).
What are the key properties of 1-hydroxy-2-oxo-5-phenylpyridine-3-carboxylic acid?
1-hydroxy-2-oxo-5-phenylpyridine-3-carboxylic acid has a molecular weight of 231.21 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-oxo-5-phenylpyridine-3-carboxylic acid is sourced from PubChem (CID 11299201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).