1-hydroxy-2-oxopyridine-3-carboxylic acid

C6H5NO4 — CID 19377971

IUPAC1-hydroxy-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cccn(O)c1=O
InChIInChI=1S/C6H5NO4/c8-5-4(6(9)10)2-1-3-7(5)11/h1-3,11H,(H,9,10)
InChIKeyVQLWLSUQDIXNBD-UHFFFAOYSA-N
MW155.11 g/mol
LogP-0.22
Rot. Bonds1

About 1-hydroxy-2-oxopyridine-3-carboxylic acid

1-hydroxy-2-oxopyridine-3-carboxylic acid (PubChem CID 19377971) has the molecular formula C6H5NO4 and a molecular weight of 155.11 g/mol. Its IUPAC name is 1-hydroxy-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-2-oxopyridine-3-carboxylic acid
PubChem CID19377971
Molecular FormulaC6H5NO4
Molecular Weight155.11 g/mol
Exact Mass155.02
IUPAC Name1-hydroxy-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cccn(O)c1=O
InChIInChI=1S/C6H5NO4/c8-5-4(6(9)10)2-1-3-7(5)11/h1-3,11H,(H,9,10)
InChIKeyVQLWLSUQDIXNBD-UHFFFAOYSA-N
XLogP-0.22
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.11
LogP ≤ 5-0.22
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-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-hydroxy-2-oxopyridine-3-carboxylic acid (CID 19377971) is 1-hydroxy-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-hydroxy-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-hydroxy-2-oxopyridine-3-carboxylic acid is O=C(O)c1cccn(O)c1=O.
What is the InChIKey of 1-hydroxy-2-oxopyridine-3-carboxylic acid?
The InChIKey is VQLWLSUQDIXNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO4/c8-5-4(6(9)10)2-1-3-7(5)11/h1-3,11H,(H,9,10).
What are the key properties of 1-hydroxy-2-oxopyridine-3-carboxylic acid?
1-hydroxy-2-oxopyridine-3-carboxylic acid has a molecular weight of 155.11 g/mol, XLogP of -0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 19377971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).