5-(6-methoxypyridin-3-yl)pyridin-2-amine

• ChemBase ID: 814581
• Molecular Formular: C11H11N3O
• Molecular Mass: 201.22454
• Monoisotopic Mass: 201.09021199
• SMILES: n1cc(ccc1N)c1cnc(cc1)OC
• Canonical SMILES: COc1ccc(cn1)c1ccc(nc1)N
• InChI: InChI=1S/C11H11N3O/c1-15-11-5-3-9(7-14-11)8-2-4-10(12)13-6-8/h2-7H,1H3,(H2,12,13)
• InChIKey: KXEDQNGUZPLWKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(6-methoxypyridin-3-yl)pyridin-2-amine
• IUPAC Traditional name: 5-(6-methoxypyridin-3-yl)pyridin-2-amine
• Synonyms: 6'-methoxy-3,3'-bipyridin-6-amine

Database IDs

• CAS Number: 945375-78-0

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.6302622
• LogD (pH = 7.4): 1.3579483
• Log P: 1.3874441
• Molar Refractivity: 58.671 cm^3
• Polarizability: 23.149786 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%