[5-(6-bromopyridin-2-yl)pyridin-3-yl]methanol

• ChemBase ID: 795698
• Molecular Formular: C11H9BrN2O
• Molecular Mass: 265.10596
• Monoisotopic Mass: 263.98982492
• SMILES: C(O)c1cc(c2nc(ccc2)Br)cnc1
• Canonical SMILES: OCc1cncc(c1)c1cccc(n1)Br
• InChI: InChI=1S/C11H9BrN2O/c12-11-3-1-2-10(14-11)9-4-8(7-15)5-13-6-9/h1-6,15H,7H2
• InChIKey: NGSHSZHSVHLWPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(6-bromopyridin-2-yl)pyridin-3-yl]methanol
• IUPAC Traditional name: [5-(6-bromopyridin-2-yl)pyridin-3-yl]methanol
• Synonyms: (6-BroMo-[2,3'-bipyridin]-5'-yl)Methanol

Database IDs

• CAS Number: 1346687-07-7

CALCULATED PROPERTIES

• Acid pKa: 14.58987
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.768298
• LogD (pH = 7.4): 1.777779
• Log P: 1.7779015
• Molar Refractivity: 61.7893 cm^3
• Polarizability: 24.70398 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%