4-(4-aminophenyl)-5-chloro-2-iodoaniline

C₁₂H₁₀ClIN₂ — CID 151805171

About 4-(4-aminophenyl)-5-chloro-2-iodoaniline

4-(4-aminophenyl)-5-chloro-2-iodoaniline (PubChem CID 151805171) has the molecular formula C₁₂H₁₀ClIN₂ and a molecular weight of 344.58 g/mol. Its IUPAC name is 4-(4-aminophenyl)-5-chloro-2-iodoaniline.

Molecular Properties

• Compound Name: 4-(4-aminophenyl)-5-chloro-2-iodoaniline
• PubChem CID: 151805171
• Molecular Formula: C₁₂H₁₀ClIN₂
• Molecular Weight: 344.58 g/mol
• Exact Mass: 343.96
• IUPAC Name: 4-(4-aminophenyl)-5-chloro-2-iodoaniline
• SMILES: Nc1ccc(-c2cc(I)c(N)cc2Cl)cc1
• InChI: InChI=1S/C12H10ClIN2/c13-10-6-12(16)11(14)5-9(10)7-1-3-8(15)4-2-7/h1-6H,15-16H2
• InChIKey: RZLKAUMSYOWZKH-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 52.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.58
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-5-chloro-2-iodoaniline?

The IUPAC name of 4-(4-aminophenyl)-5-chloro-2-iodoaniline (CID 151805171) is 4-(4-aminophenyl)-5-chloro-2-iodoaniline.

What is the SMILES notation for 4-(4-aminophenyl)-5-chloro-2-iodoaniline?

The canonical SMILES for 4-(4-aminophenyl)-5-chloro-2-iodoaniline is Nc1ccc(-c2cc(I)c(N)cc2Cl)cc1.

What is the InChIKey of 4-(4-aminophenyl)-5-chloro-2-iodoaniline?

The InChIKey is RZLKAUMSYOWZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClIN2/c13-10-6-12(16)11(14)5-9(10)7-1-3-8(15)4-2-7/h1-6H,15-16H2.

What are the key properties of 4-(4-aminophenyl)-5-chloro-2-iodoaniline?

4-(4-aminophenyl)-5-chloro-2-iodoaniline has a molecular weight of 344.58 g/mol, XLogP of 3.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-aminophenyl)-5-chloro-2-iodoaniline is sourced from PubChem (CID 151805171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151805171 — identifiers, structure, computed properties (public domain)

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