3-hydroxypyridine-2-sulfonic acid

C5H5NO4S — CID 2762794

IUPAC3-hydroxypyridine-2-sulfonic acid
SMILESO=S(=O)(O)c1ncccc1O
InChIInChI=1S/C5H5NO4S/c7-4-2-1-3-6-5(4)11(8,9)10/h1-3,7H,(H,8,9,10)
InChIKeyVDVDJLFEYRUBGM-UHFFFAOYSA-N
MW175.17 g/mol
LogP0.03
Rot. Bonds1

About 3-hydroxypyridine-2-sulfonic acid

3-hydroxypyridine-2-sulfonic acid (PubChem CID 2762794) has the molecular formula C5H5NO4S and a molecular weight of 175.17 g/mol. Its IUPAC name is 3-hydroxypyridine-2-sulfonic acid.

Molecular Properties

Compound Name3-hydroxypyridine-2-sulfonic acid
PubChem CID2762794
Molecular FormulaC5H5NO4S
Molecular Weight175.17 g/mol
Exact Mass174.99
IUPAC Name3-hydroxypyridine-2-sulfonic acid
SMILESO=S(=O)(O)c1ncccc1O
InChIInChI=1S/C5H5NO4S/c7-4-2-1-3-6-5(4)11(8,9)10/h1-3,7H,(H,8,9,10)
InChIKeyVDVDJLFEYRUBGM-UHFFFAOYSA-N
XLogP0.03
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.17
LogP ≤ 50.03
H-Bond Donors ≤ 52
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 3-hydroxypyridine-2-sulfonic acid?
The IUPAC name of 3-hydroxypyridine-2-sulfonic acid (CID 2762794) is 3-hydroxypyridine-2-sulfonic acid.
What is the SMILES notation for 3-hydroxypyridine-2-sulfonic acid?
The canonical SMILES for 3-hydroxypyridine-2-sulfonic acid is O=S(=O)(O)c1ncccc1O.
What is the InChIKey of 3-hydroxypyridine-2-sulfonic acid?
The InChIKey is VDVDJLFEYRUBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO4S/c7-4-2-1-3-6-5(4)11(8,9)10/h1-3,7H,(H,8,9,10).
What are the key properties of 3-hydroxypyridine-2-sulfonic acid?
3-hydroxypyridine-2-sulfonic acid has a molecular weight of 175.17 g/mol, XLogP of 0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypyridine-2-sulfonic acid is sourced from PubChem (CID 2762794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).