2-bromo-6-iodo-3-methoxypyridin-4-ol

• ChemBase ID: 65607
• Molecular Formular: C6H5BrINO2
• Molecular Mass: 329.91787
• Monoisotopic Mass: 328.85483841
• SMILES: c1c(nc(c(c1O)OC)Br)I
• Canonical SMILES: COc1c(O)cc(nc1Br)I
• InChI: InChI=1S/C6H5BrINO2/c1-11-5-3(10)2-4(8)9-6(5)7/h2H,1H3,(H,9,10)
• InChIKey: CVWZBJNPVDMYKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-iodo-3-methoxypyridin-4-ol
• IUPAC Traditional name: 2-bromo-6-iodo-3-methoxypyridin-4-ol
• Synonyms: 2-Bromo-6-iodo-3-methoxypyridin-4-ol

Database IDs

• MDL Number: MFCD20487068
• PubChem SID: 162031346
• PubChem CID: 71299108

CALCULATED PROPERTIES

• Acid pKa: 9.2323
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.2300649
• LogD (pH = 7.4): 2.2239397
• Log P: 2.2301435
• Molar Refractivity: 53.8808 cm^3
• Polarizability: 21.238672 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%