Iodoquinol

C₉H₅I₂NO — CID 3728

About Iodoquinol

Iodoquinol (PubChem CID 3728) has the molecular formula C₉H₅I₂NO and a molecular weight of 396.95 g/mol. Its IUPAC name is 5,7-diiodoquinolin-8-ol.

Molecular Properties

• Compound Name: Iodoquinol
• PubChem CID: 3728
• Molecular Formula: C₉H₅I₂NO
• Molecular Weight: 396.95 g/mol
• Exact Mass: 396.85
• IUPAC Name: 5,7-diiodoquinolin-8-ol
• SMILES: Oc1c(I)cc(I)c2cccnc12
• InChI: InChI=1S/C9H5I2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
• InChIKey: UXZFQZANDVDGMM-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 33.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.95
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Iodoquinol?

The IUPAC name of Iodoquinol (CID 3728) is 5,7-diiodoquinolin-8-ol.

What is the SMILES notation for Iodoquinol?

The canonical SMILES for Iodoquinol is Oc1c(I)cc(I)c2cccnc12.

What is the InChIKey of Iodoquinol?

The InChIKey is UXZFQZANDVDGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5I2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H.

What are the key properties of Iodoquinol?

Iodoquinol has a molecular weight of 396.95 g/mol, XLogP of 3.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Iodoquinol is sourced from PubChem (CID 3728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3728 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1457 — approved-drug record (CC BY-SA 4.0)

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