2-(pyrrolidin-3-yloxy)pyridine

• ChemBase ID: 238889
• Molecular Formular: C9H12N2O
• Molecular Mass: 164.20438
• Monoisotopic Mass: 164.09496301
• SMILES: c1(ncccc1)OC1CCNC1
• Canonical SMILES: C1NCC(C1)Oc1ccccn1
• InChI: InChI=1S/C9H12N2O/c1-2-5-11-9(3-1)12-8-4-6-10-7-8/h1-3,5,8,10H,4,6-7H2
• InChIKey: FOZWWJMAFNEKFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyrrolidin-3-yloxy)pyridine
• IUPAC Traditional name: 2-(pyrrolidin-3-yloxy)pyridine
• Synonyms: 2-(pyrrolidin-3-yloxy)pyridine

Database IDs

• MDL Number: MFCD11858534
• PubChem SID: 164294799
• PubChem CID: 18337160

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.45168
• LogD (pH = 7.4): -1.9052047
• Log P: 0.7761581
• Molar Refractivity: 45.9688 cm^3
• Polarizability: 18.271523 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.065

Product Information

• Purity: 95%