Tavaborole

C₇H₆BFO₂ — CID 11499245

About Tavaborole

Tavaborole (PubChem CID 11499245) has the molecular formula C₇H₆BFO₂ and a molecular weight of 151.93 g/mol. Its IUPAC name is 5-fluoro-1-hydroxy-3H-2,1-benzoxaborole.

Molecular Properties

• Compound Name: Tavaborole
• PubChem CID: 11499245
• Molecular Formula: C₇H₆BFO₂
• Molecular Weight: 151.93 g/mol
• Exact Mass: 152.04
• IUPAC Name: 5-fluoro-1-hydroxy-3H-2,1-benzoxaborole
• SMILES: OB1OCc2cc(F)ccc21
• InChI: InChI=1S/C7H6BFO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,10H,4H2
• InChIKey: LFQDNHWZDQTITF-UHFFFAOYSA-N
• XLogP: 0.04
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	151.93
LogP ≤ 5	0.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Tavaborole?

The IUPAC name of Tavaborole (CID 11499245) is 5-fluoro-1-hydroxy-3H-2,1-benzoxaborole.

What is the SMILES notation for Tavaborole?

The canonical SMILES for Tavaborole is OB1OCc2cc(F)ccc21.

What is the InChIKey of Tavaborole?

The InChIKey is LFQDNHWZDQTITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BFO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,10H,4H2.

What are the key properties of Tavaborole?

Tavaborole has a molecular weight of 151.93 g/mol, XLogP of 0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Tavaborole is sourced from PubChem (CID 11499245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 11499245 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 4877 — approved-drug record (CC BY-SA 4.0)

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