6-iodopyridin-3-ol

• ChemBase ID: 170643
• Molecular Formular: C5H4INO
• Molecular Mass: 220.99583
• Monoisotopic Mass: 220.93376175
• SMILES: c1(cnc(cc1)I)O
• Canonical SMILES: Ic1ccc(cn1)O
• InChI: InChI=1S/C5H4INO/c6-5-2-1-4(8)3-7-5/h1-3,8H
• InChIKey: UVNPCRNIHOCXEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-iodopyridin-3-ol
• IUPAC Traditional name: 6-iodopyridin-3-ol
• Synonyms: 6-Iodo-3-pyridinol; 2-Iodo-5-hydroxypyridine; 5-Hydroxy-2-iodopyridine; 6-iodopyridin-3-ol; 2-IODO-5-HYDROXYPYRIDINE

Database IDs

• CAS Number: 129034-38-4
• MDL Number: MFCD09260905
• PubChem SID: 164226553
• PubChem CID: 11063983

CALCULATED PROPERTIES

• Acid pKa: 8.242279
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4127026
• LogD (pH = 7.4): 1.3563691
• Log P: 1.4135401
• Molar Refractivity: 38.9526 cm^3
• Polarizability: 15.451483 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Off-White Powder
• Melting Point: 185 - 187°C
• Hydrophobicity(logP): 1.884

Product Information

• Purity: 95%; 95+%; 98%