4-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid

C6H5NO4 — CID 54703482

IUPAC4-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(O)cc(=O)[nH]1
InChIInChI=1S/C6H5NO4/c8-3-1-4(6(10)11)7-5(9)2-3/h1-2H,(H,10,11)(H2,7,8,9)
InChIKeyXLVJKDXPBUHZLA-UHFFFAOYSA-N
MW155.11 g/mol
LogP-0.22
Rot. Bonds1

About 4-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid

4-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 54703482) has the molecular formula C6H5NO4 and a molecular weight of 155.11 g/mol. Its IUPAC name is 4-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid
PubChem CID54703482
Molecular FormulaC6H5NO4
Molecular Weight155.11 g/mol
Exact Mass155.02
IUPAC Name4-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(O)cc(=O)[nH]1
InChIInChI=1S/C6H5NO4/c8-3-1-4(6(10)11)7-5(9)2-3/h1-2H,(H,10,11)(H2,7,8,9)
InChIKeyXLVJKDXPBUHZLA-UHFFFAOYSA-N
XLogP-0.22
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.11
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid (CID 54703482) is 4-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid is O=C(O)c1cc(O)cc(=O)[nH]1.
What is the InChIKey of 4-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is XLVJKDXPBUHZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO4/c8-3-1-4(6(10)11)7-5(9)2-3/h1-2H,(H,10,11)(H2,7,8,9).
What are the key properties of 4-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid?
4-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid has a molecular weight of 155.11 g/mol, XLogP of -0.22, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 54703482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).