4-hydroxy-1H-indazole-7-sulfonic acid

C7H6N2O4S — CID 136948975

IUPAC4-hydroxy-1H-indazole-7-sulfonic acid
SMILESO=S(=O)(O)c1ccc(O)c2cn[nH]c12
InChIInChI=1S/C7H6N2O4S/c10-5-1-2-6(14(11,12)13)7-4(5)3-8-9-7/h1-3,10H,(H,8,9)(H,11,12,13)
InChIKeyFRVYWWYDLUADEQ-UHFFFAOYSA-N
MW214.20 g/mol
LogP0.52
Rot. Bonds1

About 4-hydroxy-1H-indazole-7-sulfonic acid

4-hydroxy-1H-indazole-7-sulfonic acid (PubChem CID 136948975) has the molecular formula C7H6N2O4S and a molecular weight of 214.20 g/mol. Its IUPAC name is 4-hydroxy-1H-indazole-7-sulfonic acid.

Molecular Properties

Compound Name4-hydroxy-1H-indazole-7-sulfonic acid
PubChem CID136948975
Molecular FormulaC7H6N2O4S
Molecular Weight214.20 g/mol
Exact Mass214.00
IUPAC Name4-hydroxy-1H-indazole-7-sulfonic acid
SMILESO=S(=O)(O)c1ccc(O)c2cn[nH]c12
InChIInChI=1S/C7H6N2O4S/c10-5-1-2-6(14(11,12)13)7-4(5)3-8-9-7/h1-3,10H,(H,8,9)(H,11,12,13)
InChIKeyFRVYWWYDLUADEQ-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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Related Compounds

7-amino-1H-indazole-4-sulfonic acid
CID 76846352
4-hydroxy-7-nitroso-1H-indazole-6-sulfonic acid
CID 171384685
6-hydroxy-1H-indazole-7-sulfonic acid
CID 137216133
4-hydroxynaphthalene-1-sulfonic acid
CID 6791
6-hydroxy-1H-indazole-4-sulfonic acid
CID 137006995
8-hydroxypyrene-1-sulfonic acid
CID 87461805
4-hydroxy-2,3-dimethylbenzenesulfonic acid
CID 3020229
CID 173398336
CID 173398336
CID 173241757
CID 173241757
potassium;2,5-dihydroxybenzene-1,4-disulfonic acid;hydride
CID 173216903
4-hydroxy-2-methylbenzene-1,3-disulfonic acid
CID 19033611
CID 137242223
CID 137242223

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1H-indazole-7-sulfonic acid?
The IUPAC name of 4-hydroxy-1H-indazole-7-sulfonic acid (CID 136948975) is 4-hydroxy-1H-indazole-7-sulfonic acid.
What is the SMILES notation for 4-hydroxy-1H-indazole-7-sulfonic acid?
The canonical SMILES for 4-hydroxy-1H-indazole-7-sulfonic acid is O=S(=O)(O)c1ccc(O)c2cn[nH]c12.
What is the InChIKey of 4-hydroxy-1H-indazole-7-sulfonic acid?
The InChIKey is FRVYWWYDLUADEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O4S/c10-5-1-2-6(14(11,12)13)7-4(5)3-8-9-7/h1-3,10H,(H,8,9)(H,11,12,13).
What are the key properties of 4-hydroxy-1H-indazole-7-sulfonic acid?
4-hydroxy-1H-indazole-7-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 4-hydroxy-1H-indazole-7-sulfonic acid is sourced from PubChem (CID 136948975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).