2-methoxy-5-(pyridin-2-yl)pyridine

• ChemBase ID: 815716
• Molecular Formular: C11H10N2O
• Molecular Mass: 186.2099
• Monoisotopic Mass: 186.07931295
• SMILES: n1c(cccc1)c1cnc(cc1)OC
• Canonical SMILES: COc1ccc(cn1)c1ccccn1
• InChI: InChI=1S/C11H10N2O/c1-14-11-6-5-9(8-13-11)10-4-2-3-7-12-10/h2-8H,1H3
• InChIKey: HRVJUCXZUHFRNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-5-(pyridin-2-yl)pyridine
• IUPAC Traditional name: 2-methoxy-5-(pyridin-2-yl)pyridine
• Synonyms: 6'-methoxy-2,3'-bipyridine

Database IDs

• CAS Number: 381725-49-1

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9892337
• LogD (pH = 7.4): 2.0075243
• Log P: 2.007763
• Molar Refractivity: 53.2851 cm^3
• Polarizability: 22.036808 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%