2-(6-bromopyridin-2-yl)ethan-1-ol

• ChemBase ID: 52707
• Molecular Formular: C7H8BrNO
• Molecular Mass: 202.04852
• Monoisotopic Mass: 200.97892588
• SMILES: c1c(nc(cc1)CCO)Br
• Canonical SMILES: OCCc1cccc(n1)Br
• InChI: InChI=1S/C7H8BrNO/c8-7-3-1-2-6(9-7)4-5-10/h1-3,10H,4-5H2
• InChIKey: BUSVXLMCEYFMCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-bromopyridin-2-yl)ethan-1-ol
• IUPAC Traditional name: 2-(6-bromopyridin-2-yl)ethanol
• Synonyms: 2-(6-Bromopyridin-2-yl)ethanol; 6-Bromo-2-pyridineethanol

Database IDs

• CAS Number: 955370-07-7
• MDL Number: MFCD10000073
• PubChem SID: 162057470
• PubChem CID: 46835713

CALCULATED PROPERTIES

• Acid pKa: 15.664668
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2809201
• LogD (pH = 7.4): 1.2809821
• Log P: 1.2809829
• Molar Refractivity: 43.3592 cm^3
• Polarizability: 16.580095 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%

DETAILS

Toronto Research Chemicals - B686800

Used in the preparation of 2,6-diaminopyridine compounds for treating diseases associated with amyloid or amyloid-like proteins, especially ocular diseases.

REFERENCES

• Huc, I., et al.: Chem. Commun., 578 (2002)
• Heckmann, D., et al.: Angewandte Chemie, 46, 3571 (2002)