2-amino-5-iodophenol

• ChemBase ID: 281694
• Molecular Formular: C6H6INO
• Molecular Mass: 235.02241
• Monoisotopic Mass: 234.94941182
• SMILES: c1(cc(ccc1N)I)O
• Canonical SMILES: Ic1ccc(c(c1)O)N
• InChI: InChI=1S/C6H6INO/c7-4-1-2-5(8)6(9)3-4/h1-3,9H,8H2
• InChIKey: NXBSMRUIIBNDSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-5-iodophenol
• IUPAC Traditional name: 2-amino-5-iodophenol
• Synonyms: 2-amino-5-iodophenol

Database IDs

• MDL Number: MFCD14705905
• PubChem SID: 180667225
• PubChem CID: 19877051

CALCULATED PROPERTIES

• Acid pKa: 9.673657
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.7587726
• LogD (pH = 7.4): 1.7671952
• Log P: 1.769699
• Molar Refractivity: 46.1018 cm^3
• Polarizability: 17.32893 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 104 - 106°C
• Hydrophobicity(logP): 2.122

Product Information

• Purity: 95%