5-nitro-1H-indazole-6-sulfonic acid

C7H5N3O5S — CID 142741949

IUPAC5-nitro-1H-indazole-6-sulfonic acid
SMILESO=[N+]([O-])c1cc2cn[nH]c2cc1S(=O)(=O)O
InChIInChI=1S/C7H5N3O5S/c11-10(12)6-1-4-3-8-9-5(4)2-7(6)16(13,14)15/h1-3H,(H,8,9)(H,13,14,15)
InChIKeyIHPZIUZTZUEACD-UHFFFAOYSA-N
MW243.20 g/mol
LogP0.72
Rot. Bonds2

About 5-nitro-1H-indazole-6-sulfonic acid

5-nitro-1H-indazole-6-sulfonic acid (PubChem CID 142741949) has the molecular formula C7H5N3O5S and a molecular weight of 243.20 g/mol. Its IUPAC name is 5-nitro-1H-indazole-6-sulfonic acid.

Molecular Properties

Compound Name5-nitro-1H-indazole-6-sulfonic acid
PubChem CID142741949
Molecular FormulaC7H5N3O5S
Molecular Weight243.20 g/mol
Exact Mass242.99
IUPAC Name5-nitro-1H-indazole-6-sulfonic acid
SMILESO=[N+]([O-])c1cc2cn[nH]c2cc1S(=O)(=O)O
InChIInChI=1S/C7H5N3O5S/c11-10(12)6-1-4-3-8-9-5(4)2-7(6)16(13,14)15/h1-3H,(H,8,9)(H,13,14,15)
InChIKeyIHPZIUZTZUEACD-UHFFFAOYSA-N
XLogP0.72
TPSA126.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.20
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-nitro-1H-indazole-6-sulfonic acid?
The IUPAC name of 5-nitro-1H-indazole-6-sulfonic acid (CID 142741949) is 5-nitro-1H-indazole-6-sulfonic acid.
What is the SMILES notation for 5-nitro-1H-indazole-6-sulfonic acid?
The canonical SMILES for 5-nitro-1H-indazole-6-sulfonic acid is O=[N+]([O-])c1cc2cn[nH]c2cc1S(=O)(=O)O.
What is the InChIKey of 5-nitro-1H-indazole-6-sulfonic acid?
The InChIKey is IHPZIUZTZUEACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O5S/c11-10(12)6-1-4-3-8-9-5(4)2-7(6)16(13,14)15/h1-3H,(H,8,9)(H,13,14,15).
What are the key properties of 5-nitro-1H-indazole-6-sulfonic acid?
5-nitro-1H-indazole-6-sulfonic acid has a molecular weight of 243.20 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-1H-indazole-6-sulfonic acid is sourced from PubChem (CID 142741949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).