6-chloro-4-iodopyridin-3-ol

• ChemBase ID: 248863
• Molecular Formular: C5H3ClINO
• Molecular Mass: 255.44089
• Monoisotopic Mass: 254.8947894
• SMILES: c1c(c(cnc1Cl)O)I
• Canonical SMILES: Clc1ncc(c(c1)I)O
• InChI: InChI=1S/C5H3ClINO/c6-5-1-3(7)4(9)2-8-5/h1-2,9H
• InChIKey: CXHOJLOLUDOQIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-4-iodopyridin-3-ol
• IUPAC Traditional name: 6-chloro-4-iodopyridin-3-ol
• Synonyms: 6-chloro-4-iodopyridin-3-ol

Database IDs

• MDL Number: MFCD11977445
• PubChem SID: 164304773
• PubChem CID: 53302038

CALCULATED PROPERTIES

• Acid pKa: 7.1826487
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.196439
• LogD (pH = 7.4): 1.7970068
• Log P: 2.2051744
• Molar Refractivity: 45.1106 cm^3
• Polarizability: 17.439922 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.592

Product Information

• Purity: 95%