4-Amino-3-iodobenzoic Acid

C7H6INO2 — CID 16461

About 4-Amino-3-iodobenzoic Acid

4-Amino-3-iodobenzoic Acid (PubChem CID 16461) has the molecular formula C7H6INO2 and a molecular weight of 263.03 g/mol. Its IUPAC name is 4-amino-3-iodobenzoic acid.

Molecular Properties

• Compound Name: 4-Amino-3-iodobenzoic Acid
• PubChem CID: 16461
• Molecular Formula: C7H6INO2
• Molecular Weight: 263.03 g/mol
• Exact Mass: 262.94
• IUPAC Name: 4-amino-3-iodobenzoic acid
• SMILES: C1=CC(=C(C=C1C(=O)O)I)N
• InChIKey: FPLDDZRJTOXFCB-UHFFFAOYSA-N
• XLogP: 1.40
• TPSA: 63.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 11
• Complexity: 163

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	263.03
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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