Iopydol

C₈H₉I₂NO₃ — CID 21751

About Iopydol

Iopydol (PubChem CID 21751) has the molecular formula C₈H₉I₂NO₃ and a molecular weight of 420.97 g/mol. Its IUPAC name is 1-(2,3-dihydroxypropyl)-3,5-diiodopyridin-4-one.

Molecular Properties

• Compound Name: Iopydol
• PubChem CID: 21751
• Molecular Formula: C₈H₉I₂NO₃
• Molecular Weight: 420.97 g/mol
• Exact Mass: 420.87
• IUPAC Name: 1-(2,3-dihydroxypropyl)-3,5-diiodopyridin-4-one
• SMILES: O=c1c(I)cn(CC(O)CO)cc1I
• InChI: InChI=1S/C8H9I2NO3/c9-6-2-11(1-5(13)4-12)3-7(10)8(6)14/h2-3,5,12-13H,1,4H2
• InChIKey: TZADDXVKYWMEHX-UHFFFAOYSA-N
• XLogP: 0.41
• TPSA: 62.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.97
LogP ≤ 5	0.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Iopydol?

The IUPAC name of Iopydol (CID 21751) is 1-(2,3-dihydroxypropyl)-3,5-diiodopyridin-4-one.

What is the SMILES notation for Iopydol?

The canonical SMILES for Iopydol is O=c1c(I)cn(CC(O)CO)cc1I.

What is the InChIKey of Iopydol?

The InChIKey is TZADDXVKYWMEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9I2NO3/c9-6-2-11(1-5(13)4-12)3-7(10)8(6)14/h2-3,5,12-13H,1,4H2.

What are the key properties of Iopydol?

Iopydol has a molecular weight of 420.97 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Iopydol is sourced from PubChem (CID 21751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 21751 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 4581 — approved-drug record (CC BY-SA 4.0)

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