4-iodopyridin-3-ol

• ChemBase ID: 66759
• Molecular Formular: C5H4INO
• Molecular Mass: 220.99583
• Monoisotopic Mass: 220.93376175
• SMILES: c1c(c(ccn1)I)O
• Canonical SMILES: Oc1cnccc1I
• InChI: InChI=1S/C5H4INO/c6-4-1-2-7-3-5(4)8/h1-3,8H
• InChIKey: HKFQSXPNVJVXTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-iodopyridin-3-ol
• IUPAC Traditional name: 4-iodopyridin-3-ol
• Synonyms: 4-Iodo-3-hydroxypyridine

Database IDs

• CAS Number: 188057-20-7
• MDL Number: MFCD09030242
• PubChem SID: 162032495
• PubChem CID: 22503581

CALCULATED PROPERTIES

• Acid pKa: 7.5647254
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3586581
• LogD (pH = 7.4): 1.1603652
• Log P: 1.3809526
• Molar Refractivity: 39.2445 cm^3
• Polarizability: 15.383113 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%