1H-indazol-6-ylboronic acid

C7H7BN2O2 — CID 24728617

IUPAC1H-indazol-6-ylboronic acid
SMILESOB(O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C7H7BN2O2/c11-8(12)6-2-1-5-4-9-10-7(5)3-6/h1-4,11-12H,(H,9,10)
InChIKeyZKNLCHWRWRYPGG-UHFFFAOYSA-N
MW161.96 g/mol
LogP-0.76
Rot. Bonds1

About 1H-indazol-6-ylboronic acid

1H-indazol-6-ylboronic acid (PubChem CID 24728617) has the molecular formula C7H7BN2O2 and a molecular weight of 161.96 g/mol. Its IUPAC name is 1H-indazol-6-ylboronic acid.

Molecular Properties

Compound Name1H-indazol-6-ylboronic acid
PubChem CID24728617
Molecular FormulaC7H7BN2O2
Molecular Weight161.96 g/mol
Exact Mass162.06
IUPAC Name1H-indazol-6-ylboronic acid
SMILESOB(O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C7H7BN2O2/c11-8(12)6-2-1-5-4-9-10-7(5)3-6/h1-4,11-12H,(H,9,10)
InChIKeyZKNLCHWRWRYPGG-UHFFFAOYSA-N
XLogP-0.76
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.96
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1H-indazol-6-ylboronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-6-ylboronic acid?
The IUPAC name of 1H-indazol-6-ylboronic acid (CID 24728617) is 1H-indazol-6-ylboronic acid.
What is the SMILES notation for 1H-indazol-6-ylboronic acid?
The canonical SMILES for 1H-indazol-6-ylboronic acid is OB(O)c1ccc2cn[nH]c2c1.
What is the InChIKey of 1H-indazol-6-ylboronic acid?
The InChIKey is ZKNLCHWRWRYPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BN2O2/c11-8(12)6-2-1-5-4-9-10-7(5)3-6/h1-4,11-12H,(H,9,10).
What are the key properties of 1H-indazol-6-ylboronic acid?
1H-indazol-6-ylboronic acid has a molecular weight of 161.96 g/mol, XLogP of -0.76, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-6-ylboronic acid is sourced from PubChem (CID 24728617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).