2-fluoro-6-(6-methoxypyridin-2-yl)pyridine

• ChemBase ID: 796288
• Molecular Formular: C11H9FN2O
• Molecular Mass: 204.2003632
• Monoisotopic Mass: 204.06989114
• SMILES: n1c(cccc1F)c1nc(ccc1)OC
• Canonical SMILES: COc1cccc(n1)c1cccc(n1)F
• InChI: InChI=1S/C11H9FN2O/c1-15-11-7-3-5-9(14-11)8-4-2-6-10(12)13-8/h2-7H,1H3
• InChIKey: JIJGVCWEAQJLSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-6-(6-methoxypyridin-2-yl)pyridine
• IUPAC Traditional name: 2-fluoro-6-(6-methoxypyridin-2-yl)pyridine
• Synonyms: 6-Fluoro-6'-Methoxy-2,2'-bipyridine

Database IDs

• CAS Number: 1245646-08-5

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.9302375
• LogD (pH = 7.4): 2.9302456
• Log P: 2.9302459
• Molar Refractivity: 54.1442 cm^3
• Polarizability: 21.658636 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%