6-hydroxy-1H-indazole-4-sulfonic acid

C7H6N2O4S — CID 137006995

IUPAC6-hydroxy-1H-indazole-4-sulfonic acid
SMILESO=S(=O)(O)c1cc(O)cc2[nH]ncc12
InChIInChI=1S/C7H6N2O4S/c10-4-1-6-5(3-8-9-6)7(2-4)14(11,12)13/h1-3,10H,(H,8,9)(H,11,12,13)
InChIKeyBIWDYXJOKRQAFC-UHFFFAOYSA-N
MW214.20 g/mol
LogP0.52
Rot. Bonds1

About 6-hydroxy-1H-indazole-4-sulfonic acid

6-hydroxy-1H-indazole-4-sulfonic acid (PubChem CID 137006995) has the molecular formula C7H6N2O4S and a molecular weight of 214.20 g/mol. Its IUPAC name is 6-hydroxy-1H-indazole-4-sulfonic acid.

Molecular Properties

Compound Name6-hydroxy-1H-indazole-4-sulfonic acid
PubChem CID137006995
Molecular FormulaC7H6N2O4S
Molecular Weight214.20 g/mol
Exact Mass214.00
IUPAC Name6-hydroxy-1H-indazole-4-sulfonic acid
SMILESO=S(=O)(O)c1cc(O)cc2[nH]ncc12
InChIInChI=1S/C7H6N2O4S/c10-4-1-6-5(3-8-9-6)7(2-4)14(11,12)13/h1-3,10H,(H,8,9)(H,11,12,13)
InChIKeyBIWDYXJOKRQAFC-UHFFFAOYSA-N
XLogP0.52
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 50.52
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 6-hydroxy-1H-indazole-4-sulfonic acid?
The IUPAC name of 6-hydroxy-1H-indazole-4-sulfonic acid (CID 137006995) is 6-hydroxy-1H-indazole-4-sulfonic acid.
What is the SMILES notation for 6-hydroxy-1H-indazole-4-sulfonic acid?
The canonical SMILES for 6-hydroxy-1H-indazole-4-sulfonic acid is O=S(=O)(O)c1cc(O)cc2[nH]ncc12.
What is the InChIKey of 6-hydroxy-1H-indazole-4-sulfonic acid?
The InChIKey is BIWDYXJOKRQAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O4S/c10-4-1-6-5(3-8-9-6)7(2-4)14(11,12)13/h1-3,10H,(H,8,9)(H,11,12,13).
What are the key properties of 6-hydroxy-1H-indazole-4-sulfonic acid?
6-hydroxy-1H-indazole-4-sulfonic acid has a molecular weight of 214.20 g/mol, XLogP of 0.52, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1H-indazole-4-sulfonic acid is sourced from PubChem (CID 137006995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).