1-hydroxy-3H-2,1-benzoxaborole-3-carboxamide;hydrochloride

C8H9BClNO3 — CID 68646508

IUPAC1-hydroxy-3H-2,1-benzoxaborole-3-carboxamide;hydrochloride
SMILESCl.NC(=O)C1OB(O)c2ccccc21
InChIInChI=1S/C8H8BNO3.ClH/c10-8(11)7-5-3-1-2-4-6(5)9(12)13-7;/h1-4,7,12H,(H2,10,11);1H
InChIKeyXCWWGWXJXFDIJG-UHFFFAOYSA-N
MW213.43 g/mol
LogP-0.65
Rot. Bonds1

About 1-hydroxy-3H-2,1-benzoxaborole-3-carboxamide;hydrochloride

1-hydroxy-3H-2,1-benzoxaborole-3-carboxamide;hydrochloride (PubChem CID 68646508) has the molecular formula C8H9BClNO3 and a molecular weight of 213.43 g/mol. Its IUPAC name is 1-hydroxy-3H-2,1-benzoxaborole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-hydroxy-3H-2,1-benzoxaborole-3-carboxamide;hydrochloride
PubChem CID68646508
Molecular FormulaC8H9BClNO3
Molecular Weight213.43 g/mol
Exact Mass213.04
IUPAC Name1-hydroxy-3H-2,1-benzoxaborole-3-carboxamide;hydrochloride
SMILESCl.NC(=O)C1OB(O)c2ccccc21
InChIInChI=1S/C8H8BNO3.ClH/c10-8(11)7-5-3-1-2-4-6(5)9(12)13-7;/h1-4,7,12H,(H2,10,11);1H
InChIKeyXCWWGWXJXFDIJG-UHFFFAOYSA-N
XLogP-0.65
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.43
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-hydroxy-3H-2,1-benzoxaborole-3-carboxamide;hydrochloride 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 1-hydroxy-3H-2,1-benzoxaborole-3-carboxamide;hydrochloride?
The IUPAC name of 1-hydroxy-3H-2,1-benzoxaborole-3-carboxamide;hydrochloride (CID 68646508) is 1-hydroxy-3H-2,1-benzoxaborole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-hydroxy-3H-2,1-benzoxaborole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-hydroxy-3H-2,1-benzoxaborole-3-carboxamide;hydrochloride is Cl.NC(=O)C1OB(O)c2ccccc21.
What is the InChIKey of 1-hydroxy-3H-2,1-benzoxaborole-3-carboxamide;hydrochloride?
The InChIKey is XCWWGWXJXFDIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BNO3.ClH/c10-8(11)7-5-3-1-2-4-6(5)9(12)13-7;/h1-4,7,12H,(H2,10,11);1H.
What are the key properties of 1-hydroxy-3H-2,1-benzoxaborole-3-carboxamide;hydrochloride?
1-hydroxy-3H-2,1-benzoxaborole-3-carboxamide;hydrochloride has a molecular weight of 213.43 g/mol, XLogP of -0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3H-2,1-benzoxaborole-3-carboxamide;hydrochloride is sourced from PubChem (CID 68646508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).