2-methoxy-6-(pyrrolidin-3-yl)pyridine

• ChemBase ID: 814054
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: n1c(cccc1C1CNCC1)OC
• Canonical SMILES: COc1cccc(n1)C1CNCC1
• InChI: InChI=1S/C10H14N2O/c1-13-10-4-2-3-9(12-10)8-5-6-11-7-8/h2-4,8,11H,5-7H2,1H3
• InChIKey: CZCIYWVYEADJPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-6-(pyrrolidin-3-yl)pyridine
• IUPAC Traditional name: 2-methoxy-6-(pyrrolidin-3-yl)pyridine
• Synonyms: 2-methoxy-6-(pyrrolidin-3-yl)pyridine

Database IDs

• CAS Number: 1196156-54-3

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.0980353
• LogD (pH = 7.4): -1.8041531
• Log P: 1.1386465
• Molar Refractivity: 50.9459 cm^3
• Polarizability: 20.035254 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%