2-(3-hydroxypropyl)-5-iodopyridazin-3-one

C₇H₉IN₂O₂ — CID 114553325

About 2-(3-hydroxypropyl)-5-iodopyridazin-3-one

2-(3-hydroxypropyl)-5-iodopyridazin-3-one (PubChem CID 114553325) has the molecular formula C₇H₉IN₂O₂ and a molecular weight of 280.06 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-5-iodopyridazin-3-one.

Molecular Properties

• Compound Name: 2-(3-hydroxypropyl)-5-iodopyridazin-3-one
• PubChem CID: 114553325
• Molecular Formula: C₇H₉IN₂O₂
• Molecular Weight: 280.06 g/mol
• Exact Mass: 279.97
• IUPAC Name: 2-(3-hydroxypropyl)-5-iodopyridazin-3-one
• SMILES: O=c1cc(I)cnn1CCCO
• InChI: InChI=1S/C7H9IN2O2/c8-6-4-7(12)10(9-5-6)2-1-3-11/h4-5,11H,1-3H2
• InChIKey: FHXGTHNMZRVQAG-UHFFFAOYSA-N
• XLogP: 0.23
• TPSA: 55.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	280.06
LogP ≤ 5	0.23
H-Bond Donors ≤ 5	1
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 2-(3-hydroxypropyl)-5-iodopyridazin-3-one?

The IUPAC name of 2-(3-hydroxypropyl)-5-iodopyridazin-3-one (CID 114553325) is 2-(3-hydroxypropyl)-5-iodopyridazin-3-one.

What is the SMILES notation for 2-(3-hydroxypropyl)-5-iodopyridazin-3-one?

The canonical SMILES for 2-(3-hydroxypropyl)-5-iodopyridazin-3-one is O=c1cc(I)cnn1CCCO.

What is the InChIKey of 2-(3-hydroxypropyl)-5-iodopyridazin-3-one?

The InChIKey is FHXGTHNMZRVQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2O2/c8-6-4-7(12)10(9-5-6)2-1-3-11/h4-5,11H,1-3H2.

What are the key properties of 2-(3-hydroxypropyl)-5-iodopyridazin-3-one?

2-(3-hydroxypropyl)-5-iodopyridazin-3-one has a molecular weight of 280.06 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-hydroxypropyl)-5-iodopyridazin-3-one is sourced from PubChem (CID 114553325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 114553325 — identifiers, structure, computed properties (public domain)

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