4-hydroxy-7-nitroso-1H-indazole-6-sulfonic acid

C7H5N3O5S — CID 171384685

IUPAC4-hydroxy-7-nitroso-1H-indazole-6-sulfonic acid
SMILESO=Nc1c(S(=O)(=O)O)cc(O)c2cn[nH]c12
InChIInChI=1S/C7H5N3O5S/c11-4-1-5(16(13,14)15)7(10-12)6-3(4)2-8-9-6/h1-2,11H,(H,8,9)(H,13,14,15)
InChIKeyZKNLVMXPMBRLOC-UHFFFAOYSA-N
MW243.20 g/mol
LogP0.91
Rot. Bonds2

About 4-hydroxy-7-nitroso-1H-indazole-6-sulfonic acid

4-hydroxy-7-nitroso-1H-indazole-6-sulfonic acid (PubChem CID 171384685) has the molecular formula C7H5N3O5S and a molecular weight of 243.20 g/mol. Its IUPAC name is 4-hydroxy-7-nitroso-1H-indazole-6-sulfonic acid.

Molecular Properties

Compound Name4-hydroxy-7-nitroso-1H-indazole-6-sulfonic acid
PubChem CID171384685
Molecular FormulaC7H5N3O5S
Molecular Weight243.20 g/mol
Exact Mass242.99
IUPAC Name4-hydroxy-7-nitroso-1H-indazole-6-sulfonic acid
SMILESO=Nc1c(S(=O)(=O)O)cc(O)c2cn[nH]c12
InChIInChI=1S/C7H5N3O5S/c11-4-1-5(16(13,14)15)7(10-12)6-3(4)2-8-9-6/h1-2,11H,(H,8,9)(H,13,14,15)
InChIKeyZKNLVMXPMBRLOC-UHFFFAOYSA-N
XLogP0.91
TPSA132.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.20
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-1H-indazole-7-sulfonic acid
CID 136948975
6-hydroxy-1H-indazole-4-sulfonic acid
CID 137006995
7-amino-1H-indazole-4-sulfonic acid
CID 76846352
CID 173398336
CID 173398336
potassium;2,5-dihydroxybenzene-1,4-disulfonic acid;hydride
CID 173216903
6-hydroxy-5-nitrosonaphthalene-1,3-disulfonic acid
CID 23422917
6-hydroxy-1H-indazole-7-sulfonic acid
CID 137216133
2-NITROSO-1-NAPHTHOL-3,6-DISULFONIC ACID, DISODIUM SALT
CID 126959684
CID 87275188
CID 87275188
CID 86743193
CID 86743193
2,5-dihydroxy-4-methylbenzenesulfonic acid
CID 18724887
6-hydroxy-5-nitrosonaphthalene-2-sulfonic acid;iron
CID 175582411

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-7-nitroso-1H-indazole-6-sulfonic acid?
The IUPAC name of 4-hydroxy-7-nitroso-1H-indazole-6-sulfonic acid (CID 171384685) is 4-hydroxy-7-nitroso-1H-indazole-6-sulfonic acid.
What is the SMILES notation for 4-hydroxy-7-nitroso-1H-indazole-6-sulfonic acid?
The canonical SMILES for 4-hydroxy-7-nitroso-1H-indazole-6-sulfonic acid is O=Nc1c(S(=O)(=O)O)cc(O)c2cn[nH]c12.
What is the InChIKey of 4-hydroxy-7-nitroso-1H-indazole-6-sulfonic acid?
The InChIKey is ZKNLVMXPMBRLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O5S/c11-4-1-5(16(13,14)15)7(10-12)6-3(4)2-8-9-6/h1-2,11H,(H,8,9)(H,13,14,15).
What are the key properties of 4-hydroxy-7-nitroso-1H-indazole-6-sulfonic acid?
4-hydroxy-7-nitroso-1H-indazole-6-sulfonic acid has a molecular weight of 243.20 g/mol, XLogP of 0.91, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-7-nitroso-1H-indazole-6-sulfonic acid is sourced from PubChem (CID 171384685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).