1-(2-chloro-4-iodophenyl)-2-methylazetidine

C₁₀H₁₁ClIN — CID 107606939

About 1-(2-chloro-4-iodophenyl)-2-methylazetidine

1-(2-chloro-4-iodophenyl)-2-methylazetidine (PubChem CID 107606939) has the molecular formula C₁₀H₁₁ClIN and a molecular weight of 307.56 g/mol. Its IUPAC name is 1-(2-chloro-4-iodophenyl)-2-methylazetidine.

Molecular Properties

• Compound Name: 1-(2-chloro-4-iodophenyl)-2-methylazetidine
• PubChem CID: 107606939
• Molecular Formula: C₁₀H₁₁ClIN
• Molecular Weight: 307.56 g/mol
• Exact Mass: 306.96
• IUPAC Name: 1-(2-chloro-4-iodophenyl)-2-methylazetidine
• SMILES: CC1CCN1c1ccc(I)cc1Cl
• InChI: InChI=1S/C10H11ClIN/c1-7-4-5-13(7)10-3-2-8(12)6-9(10)11/h2-3,6-7H,4-5H2,1H3
• InChIKey: RHSPZTAGYCXFSJ-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	307.56
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-iodophenyl)-2-methylazetidine?

The IUPAC name of 1-(2-chloro-4-iodophenyl)-2-methylazetidine (CID 107606939) is 1-(2-chloro-4-iodophenyl)-2-methylazetidine.

What is the SMILES notation for 1-(2-chloro-4-iodophenyl)-2-methylazetidine?

The canonical SMILES for 1-(2-chloro-4-iodophenyl)-2-methylazetidine is CC1CCN1c1ccc(I)cc1Cl.

What is the InChIKey of 1-(2-chloro-4-iodophenyl)-2-methylazetidine?

The InChIKey is RHSPZTAGYCXFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClIN/c1-7-4-5-13(7)10-3-2-8(12)6-9(10)11/h2-3,6-7H,4-5H2,1H3.

What are the key properties of 1-(2-chloro-4-iodophenyl)-2-methylazetidine?

1-(2-chloro-4-iodophenyl)-2-methylazetidine has a molecular weight of 307.56 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chloro-4-iodophenyl)-2-methylazetidine is sourced from PubChem (CID 107606939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 107606939 — identifiers, structure, computed properties (public domain)

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