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

• ChemBase ID: 814582
• Molecular Formular: C11H10N2O
• Molecular Mass: 186.2099
• Monoisotopic Mass: 186.07931295
• SMILES: n1c(c(ccc1)c1cnccc1)OC
• Canonical SMILES: COc1ncccc1c1cccnc1
• InChI: InChI=1S/C11H10N2O/c1-14-11-10(5-3-7-13-11)9-4-2-6-12-8-9/h2-8H,1H3
• InChIKey: WYEBJWCMHMANBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-3-(pyridin-3-yl)pyridine
• IUPAC Traditional name: 2-methoxy-3-(pyridin-3-yl)pyridine
• Synonyms: 2-methoxy-3,3'-bipyridine

Database IDs

• CAS Number: 929284-27-5

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.586158
• LogD (pH = 7.4): 1.6214396
• Log P: 1.6219126
• Molar Refractivity: 53.6571 cm^3
• Polarizability: 22.040071 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%