1-(5-iodo-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carbonyl iodide

C11H9I2N3O2 — CID 118928451

About 1-(5-iodo-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carbonyl iodide

1-(5-iodo-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carbonyl iodide (PubChem CID 118928451) has the molecular formula C11H9I2N3O2 and a molecular weight of 469.02 g/mol. Its IUPAC name is 1-(5-iodo-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carbonyl iodide.

Molecular Properties

• Compound Name: 1-(5-iodo-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carbonyl iodide
• PubChem CID: 118928451
• Molecular Formula: C11H9I2N3O2
• Molecular Weight: 469.02 g/mol
• Exact Mass: 468.88
• IUPAC Name: 1-(5-iodo-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carbonyl iodide
• SMILES: COc1ccc(I)n2nc(C3(C(=O)I)CC3)nc12
• InChI: InChI=1S/C11H9I2N3O2/c1-18-6-2-3-7(12)16-8(6)14-10(15-16)11(4-5-11)9(13)17/h2-3H,4-5H2,1H3
• InChIKey: ALFTWUIYRNRPNK-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 56.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.02
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(5-iodo-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carbonyl iodide?

The IUPAC name of 1-(5-iodo-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carbonyl iodide (CID 118928451) is 1-(5-iodo-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carbonyl iodide.

What is the SMILES notation for 1-(5-iodo-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carbonyl iodide?

The canonical SMILES for 1-(5-iodo-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carbonyl iodide is COc1ccc(I)n2nc(C3(C(=O)I)CC3)nc12.

What is the InChIKey of 1-(5-iodo-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carbonyl iodide?

The InChIKey is ALFTWUIYRNRPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9I2N3O2/c1-18-6-2-3-7(12)16-8(6)14-10(15-16)11(4-5-11)9(13)17/h2-3H,4-5H2,1H3.

What are the key properties of 1-(5-iodo-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carbonyl iodide?

1-(5-iodo-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carbonyl iodide has a molecular weight of 469.02 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-iodo-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carbonyl iodide is sourced from PubChem (CID 118928451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).