5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid

C6H5NO4 — CID 68500745

IUPAC5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid
SMILESO=C(O)C1=C(O)C(=O)CC=N1
InChIInChI=1S/C6H5NO4/c8-3-1-2-7-4(5(3)9)6(10)11/h2,9H,1H2,(H,10,11)
InChIKeyBNHZJKDXNBLZEB-UHFFFAOYSA-N
MW155.11 g/mol
LogP-0.12
Rot. Bonds1

About 5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid

5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid (PubChem CID 68500745) has the molecular formula C6H5NO4 and a molecular weight of 155.11 g/mol. Its IUPAC name is 5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid
PubChem CID68500745
Molecular FormulaC6H5NO4
Molecular Weight155.11 g/mol
Exact Mass155.02
IUPAC Name5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid
SMILESO=C(O)C1=C(O)C(=O)CC=N1
InChIInChI=1S/C6H5NO4/c8-3-1-2-7-4(5(3)9)6(10)11/h2,9H,1H2,(H,10,11)
InChIKeyBNHZJKDXNBLZEB-UHFFFAOYSA-N
XLogP-0.12
TPSA86.96 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 ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid
CID 69020576
5-hydroxy-6-(hydroxymethyl)-3H-pyridin-4-one
CID 67655396
2-bromo-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid
CID 130407653
5-hydroxy-2-methyl-4-oxo-3H-pyridine-6-carboxylic acid
CID 130407765

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid?
The IUPAC name of 5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid (CID 68500745) is 5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid.
What is the SMILES notation for 5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid?
The canonical SMILES for 5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid is O=C(O)C1=C(O)C(=O)CC=N1.
What is the InChIKey of 5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid?
The InChIKey is BNHZJKDXNBLZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO4/c8-3-1-2-7-4(5(3)9)6(10)11/h2,9H,1H2,(H,10,11).
What are the key properties of 5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid?
5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid has a molecular weight of 155.11 g/mol, XLogP of -0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid is sourced from PubChem (CID 68500745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).