Bibrocathol

C₆HBiBr₄O₃ — CID 10100751

About Bibrocathol

Bibrocathol (PubChem CID 10100751) has the molecular formula C₆HBiBr₄O₃ and a molecular weight of 649.67 g/mol. Its IUPAC name is bismuth;3,4,5,6-tetrabromobenzene-1,2-diolate;hydroxide.

Molecular Properties

• Compound Name: Bibrocathol
• PubChem CID: 10100751
• Molecular Formula: C₆HBiBr₄O₃
• Molecular Weight: 649.67 g/mol
• Exact Mass: 645.65
• IUPAC Name: bismuth;3,4,5,6-tetrabromobenzene-1,2-diolate;hydroxide
• SMILES: [Bi+3].[O-]c1c([O-])c(Br)c(Br)c(Br)c1Br.[OH-]
• InChI: InChI=1S/C6H2Br4O2.Bi.H2O/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h11-12H;;1H2/q;+3;/p-3
• InChIKey: VTAVFIZOZUAKKE-UHFFFAOYSA-K
• XLogP: 2.33
• TPSA: 76.12 Ų
• H-Bond Acceptors: 3
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	649.67
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Bibrocathol?

The IUPAC name of Bibrocathol (CID 10100751) is bismuth;3,4,5,6-tetrabromobenzene-1,2-diolate;hydroxide.

What is the SMILES notation for Bibrocathol?

The canonical SMILES for Bibrocathol is [Bi+3].[O-]c1c([O-])c(Br)c(Br)c(Br)c1Br.[OH-].

What is the InChIKey of Bibrocathol?

The InChIKey is VTAVFIZOZUAKKE-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H2Br4O2.Bi.H2O/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h11-12H;;1H2/q;+3;/p-3.

What are the key properties of Bibrocathol?

Bibrocathol has a molecular weight of 649.67 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Bibrocathol is sourced from PubChem (CID 10100751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 10100751 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 4352 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.