2-methoxy-4-(pyrrolidin-3-yl)pyridine

• ChemBase ID: 801253
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: n1c(cc(cc1)C1CNCC1)OC
• Canonical SMILES: COc1nccc(c1)C1CNCC1
• InChI: InChI=1S/C10H14N2O/c1-13-10-6-8(3-5-12-10)9-2-4-11-7-9/h3,5-6,9,11H,2,4,7H2,1H3
• InChIKey: PQAIEHOXMQICRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-4-(pyrrolidin-3-yl)pyridine
• IUPAC Traditional name: 2-methoxy-4-(pyrrolidin-3-yl)pyridine
• Synonyms: 2-METHOXY-4-(PYRROLIDIN-3-YL)PYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.309346
• LogD (pH = 7.4): -2.083752
• Log P: 0.9308096
• Molar Refractivity: 51.4208 cm^3
• Polarizability: 20.03324 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%