4-hydroxy-2-oxopyridine-1-carboxylic acid

C6H5NO4 — CID 174965959

IUPAC4-hydroxy-2-oxopyridine-1-carboxylic acid
SMILESO=C(O)n1ccc(O)cc1=O
InChIInChI=1S/C6H5NO4/c8-4-1-2-7(6(10)11)5(9)3-4/h1-3,8H,(H,10,11)
InChIKeyUPKKKLSMXAAEAQ-UHFFFAOYSA-N
MW155.11 g/mol
LogP0.08
Rot. Bonds

About 4-hydroxy-2-oxopyridine-1-carboxylic acid

4-hydroxy-2-oxopyridine-1-carboxylic acid (PubChem CID 174965959) has the molecular formula C6H5NO4 and a molecular weight of 155.11 g/mol. Its IUPAC name is 4-hydroxy-2-oxopyridine-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-2-oxopyridine-1-carboxylic acid
PubChem CID174965959
Molecular FormulaC6H5NO4
Molecular Weight155.11 g/mol
Exact Mass155.02
IUPAC Name4-hydroxy-2-oxopyridine-1-carboxylic acid
SMILESO=C(O)n1ccc(O)cc1=O
InChIInChI=1S/C6H5NO4/c8-4-1-2-7(6(10)11)5(9)3-4/h1-3,8H,(H,10,11)
InChIKeyUPKKKLSMXAAEAQ-UHFFFAOYSA-N
XLogP0.08
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.11
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxopyridine-1-carboxylic acid?
The IUPAC name of 4-hydroxy-2-oxopyridine-1-carboxylic acid (CID 174965959) is 4-hydroxy-2-oxopyridine-1-carboxylic acid.
What is the SMILES notation for 4-hydroxy-2-oxopyridine-1-carboxylic acid?
The canonical SMILES for 4-hydroxy-2-oxopyridine-1-carboxylic acid is O=C(O)n1ccc(O)cc1=O.
What is the InChIKey of 4-hydroxy-2-oxopyridine-1-carboxylic acid?
The InChIKey is UPKKKLSMXAAEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO4/c8-4-1-2-7(6(10)11)5(9)3-4/h1-3,8H,(H,10,11).
What are the key properties of 4-hydroxy-2-oxopyridine-1-carboxylic acid?
4-hydroxy-2-oxopyridine-1-carboxylic acid has a molecular weight of 155.11 g/mol, XLogP of 0.08, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxopyridine-1-carboxylic acid is sourced from PubChem (CID 174965959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).