1H-indazole-7-sulfinic acid

C7H6N2O2S — CID 67247251

IUPAC1H-indazole-7-sulfinic acid
SMILESO=S(O)c1cccc2cn[nH]c12
InChIInChI=1S/C7H6N2O2S/c10-12(11)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)(H,10,11)
InChIKeySERSBNVMPQZJKX-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.14
Rot. Bonds1

About 1H-indazole-7-sulfinic acid

1H-indazole-7-sulfinic acid (PubChem CID 67247251) has the molecular formula C7H6N2O2S and a molecular weight of 182.20 g/mol. Its IUPAC name is 1H-indazole-7-sulfinic acid.

Molecular Properties

Compound Name1H-indazole-7-sulfinic acid
PubChem CID67247251
Molecular FormulaC7H6N2O2S
Molecular Weight182.20 g/mol
Exact Mass182.01
IUPAC Name1H-indazole-7-sulfinic acid
SMILESO=S(O)c1cccc2cn[nH]c12
InChIInChI=1S/C7H6N2O2S/c10-12(11)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)(H,10,11)
InChIKeySERSBNVMPQZJKX-UHFFFAOYSA-N
XLogP1.14
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1H-indazole-7-sulfinic acid?
The IUPAC name of 1H-indazole-7-sulfinic acid (CID 67247251) is 1H-indazole-7-sulfinic acid.
What is the SMILES notation for 1H-indazole-7-sulfinic acid?
The canonical SMILES for 1H-indazole-7-sulfinic acid is O=S(O)c1cccc2cn[nH]c12.
What is the InChIKey of 1H-indazole-7-sulfinic acid?
The InChIKey is SERSBNVMPQZJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2S/c10-12(11)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)(H,10,11).
What are the key properties of 1H-indazole-7-sulfinic acid?
1H-indazole-7-sulfinic acid has a molecular weight of 182.20 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazole-7-sulfinic acid is sourced from PubChem (CID 67247251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).