3-hydroxyquinoline-5-sulfonic acid

C9H7NO4S — CID 119090210

IUPAC3-hydroxyquinoline-5-sulfonic acid
SMILESO=S(=O)(O)c1cccc2ncc(O)cc12
InChIInChI=1S/C9H7NO4S/c11-6-4-7-8(10-5-6)2-1-3-9(7)15(12,13)14/h1-5,11H,(H,12,13,14)
InChIKeyUIJRHQVBDAUWKL-UHFFFAOYSA-N
MW225.23 g/mol
LogP1.19
Rot. Bonds1

About 3-hydroxyquinoline-5-sulfonic acid

3-hydroxyquinoline-5-sulfonic acid (PubChem CID 119090210) has the molecular formula C9H7NO4S and a molecular weight of 225.23 g/mol. Its IUPAC name is 3-hydroxyquinoline-5-sulfonic acid.

Molecular Properties

Compound Name3-hydroxyquinoline-5-sulfonic acid
PubChem CID119090210
Molecular FormulaC9H7NO4S
Molecular Weight225.23 g/mol
Exact Mass225.01
IUPAC Name3-hydroxyquinoline-5-sulfonic acid
SMILESO=S(=O)(O)c1cccc2ncc(O)cc12
InChIInChI=1S/C9H7NO4S/c11-6-4-7-8(10-5-6)2-1-3-9(7)15(12,13)14/h1-5,11H,(H,12,13,14)
InChIKeyUIJRHQVBDAUWKL-UHFFFAOYSA-N
XLogP1.19
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 51.19
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-hydroxyquinoline-5-sulfonic acid?
The IUPAC name of 3-hydroxyquinoline-5-sulfonic acid (CID 119090210) is 3-hydroxyquinoline-5-sulfonic acid.
What is the SMILES notation for 3-hydroxyquinoline-5-sulfonic acid?
The canonical SMILES for 3-hydroxyquinoline-5-sulfonic acid is O=S(=O)(O)c1cccc2ncc(O)cc12.
What is the InChIKey of 3-hydroxyquinoline-5-sulfonic acid?
The InChIKey is UIJRHQVBDAUWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO4S/c11-6-4-7-8(10-5-6)2-1-3-9(7)15(12,13)14/h1-5,11H,(H,12,13,14).
What are the key properties of 3-hydroxyquinoline-5-sulfonic acid?
3-hydroxyquinoline-5-sulfonic acid has a molecular weight of 225.23 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxyquinoline-5-sulfonic acid is sourced from PubChem (CID 119090210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).