Clioquinol

C₉H₅ClINO — CID 2788

About Clioquinol

Clioquinol (PubChem CID 2788) has the molecular formula C₉H₅ClINO and a molecular weight of 305.50 g/mol. Its IUPAC name is 5-chloro-7-iodoquinolin-8-ol.

Molecular Properties

• Compound Name: Clioquinol
• PubChem CID: 2788
• Molecular Formula: C₉H₅ClINO
• Molecular Weight: 305.50 g/mol
• Exact Mass: 304.91
• IUPAC Name: 5-chloro-7-iodoquinolin-8-ol
• SMILES: Oc1c(I)cc(Cl)c2cccnc12
• InChI: InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
• InChIKey: QCDFBFJGMNKBDO-UHFFFAOYSA-N
• XLogP: 3.20
• 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	305.50
LogP ≤ 5	3.20
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 Clioquinol?

The IUPAC name of Clioquinol (CID 2788) is 5-chloro-7-iodoquinolin-8-ol.

What is the SMILES notation for Clioquinol?

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

What is the InChIKey of Clioquinol?

The InChIKey is QCDFBFJGMNKBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H.

What are the key properties of Clioquinol?

Clioquinol has a molecular weight of 305.50 g/mol, XLogP of 3.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Clioquinol is sourced from PubChem (CID 2788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2788 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 681 — approved-drug record (CC BY-SA 4.0)

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