4-hydroxy-6-oxo-1H-pyridine-3-sulfonic acid

C5H5NO5S — CID 54722076

IUPAC4-hydroxy-6-oxo-1H-pyridine-3-sulfonic acid
SMILESO=c1cc(O)c(S(=O)(=O)O)c[nH]1
InChIInChI=1S/C5H5NO5S/c7-3-1-5(8)6-2-4(3)12(9,10)11/h1-2H,(H2,6,7,8)(H,9,10,11)
InChIKeyBLGVTZLMMGSBRG-UHFFFAOYSA-N
MW191.16 g/mol
LogP-0.67
Rot. Bonds1

About 4-hydroxy-6-oxo-1H-pyridine-3-sulfonic acid

4-hydroxy-6-oxo-1H-pyridine-3-sulfonic acid (PubChem CID 54722076) has the molecular formula C5H5NO5S and a molecular weight of 191.16 g/mol. Its IUPAC name is 4-hydroxy-6-oxo-1H-pyridine-3-sulfonic acid.

Molecular Properties

Compound Name4-hydroxy-6-oxo-1H-pyridine-3-sulfonic acid
PubChem CID54722076
Molecular FormulaC5H5NO5S
Molecular Weight191.16 g/mol
Exact Mass190.99
IUPAC Name4-hydroxy-6-oxo-1H-pyridine-3-sulfonic acid
SMILESO=c1cc(O)c(S(=O)(=O)O)c[nH]1
InChIInChI=1S/C5H5NO5S/c7-3-1-5(8)6-2-4(3)12(9,10)11/h1-2H,(H2,6,7,8)(H,9,10,11)
InChIKeyBLGVTZLMMGSBRG-UHFFFAOYSA-N
XLogP-0.67
TPSA107.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-oxo-1H-pyridine-3-sulfonic acid?
The IUPAC name of 4-hydroxy-6-oxo-1H-pyridine-3-sulfonic acid (CID 54722076) is 4-hydroxy-6-oxo-1H-pyridine-3-sulfonic acid.
What is the SMILES notation for 4-hydroxy-6-oxo-1H-pyridine-3-sulfonic acid?
The canonical SMILES for 4-hydroxy-6-oxo-1H-pyridine-3-sulfonic acid is O=c1cc(O)c(S(=O)(=O)O)c[nH]1.
What is the InChIKey of 4-hydroxy-6-oxo-1H-pyridine-3-sulfonic acid?
The InChIKey is BLGVTZLMMGSBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO5S/c7-3-1-5(8)6-2-4(3)12(9,10)11/h1-2H,(H2,6,7,8)(H,9,10,11).
What are the key properties of 4-hydroxy-6-oxo-1H-pyridine-3-sulfonic acid?
4-hydroxy-6-oxo-1H-pyridine-3-sulfonic acid has a molecular weight of 191.16 g/mol, XLogP of -0.67, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-oxo-1H-pyridine-3-sulfonic acid is sourced from PubChem (CID 54722076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).