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

• ChemBase ID: 812345
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: n1c(ccc(c1)C1NCCC1)OC
• Canonical SMILES: COc1ccc(cn1)C1CCCN1
• InChI: InChI=1S/C10H14N2O/c1-13-10-5-4-8(7-12-10)9-3-2-6-11-9/h4-5,7,9,11H,2-3,6H2,1H3
• InChIKey: UPHRHXBEESDMCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-5-(pyrrolidin-2-yl)pyridine
• IUPAC Traditional name: 2-methoxy-5-(pyrrolidin-2-yl)pyridine
• Synonyms: 2-METHOXY-5-(2-PYRROLIDINYL)PYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.0099978
• LogD (pH = 7.4): -1.4312534
• Log P: 1.2162731
• Molar Refractivity: 51.137 cm^3
• Polarizability: 20.109373 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%