Iodine

I₂ — CID 807

About Iodine

Iodine (PubChem CID 807) has the molecular formula I₂ and a molecular weight of 253.81 g/mol. Its IUPAC name is molecular iodine.

Molecular Properties

• Compound Name: Iodine
• PubChem CID: 807
• Molecular Formula: I₂
• Molecular Weight: 253.81 g/mol
• Exact Mass: 253.81
• IUPAC Name: molecular iodine
• SMILES: II
• InChI: InChI=1S/I2/c1-2
• InChIKey: PNDPGZBMCMUPRI-UHFFFAOYSA-N
• XLogP: 1.77
• TPSA: 0.00 Ų
• Heavy Atoms: 2
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	253.81
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Iodine?

The IUPAC name of Iodine (CID 807) is molecular iodine.

What is the SMILES notation for Iodine?

The canonical SMILES for Iodine is II.

What is the InChIKey of Iodine?

The InChIKey is PNDPGZBMCMUPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/I2/c1-2.

What are the key properties of Iodine?

Iodine has a molecular weight of 253.81 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for Iodine is sourced from PubChem (CID 807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 807 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 4446 — approved-drug record (CC BY-SA 4.0)

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