3-methoxy-5-(pyridin-3-yl)pyridine

• ChemBase ID: 795748
• Molecular Formular: C11H10N2O
• Molecular Mass: 186.2099
• Monoisotopic Mass: 186.07931295
• SMILES: n1cc(cc(c1)OC)c1cnccc1
• Canonical SMILES: COc1cncc(c1)c1cccnc1
• InChI: InChI=1S/C11H10N2O/c1-14-11-5-10(7-13-8-11)9-3-2-4-12-6-9/h2-8H,1H3
• InChIKey: MESIWFACISTOID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-5-(pyridin-3-yl)pyridine
• IUPAC Traditional name: 3-methoxy-5-(pyridin-3-yl)pyridine
• Synonyms: 5-Methoxy-3,3'-bipyridine

Database IDs

• CAS Number: 1190645-04-5

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.95770234
• LogD (pH = 7.4): 1.0265162
• Log P: 1.0274551
• Molar Refractivity: 53.3436 cm^3
• Polarizability: 22.034498 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%