4-(pyrrolidin-3-yloxy)pyridine

• ChemBase ID: 238003
• Molecular Formular: C9H12N2O
• Molecular Mass: 164.20438
• Monoisotopic Mass: 164.09496301
• SMILES: N1CCC(Oc2ccncc2)C1
• Canonical SMILES: C1NCC(C1)Oc1ccncc1
• InChI: InChI=1S/C9H12N2O/c1-4-10-5-2-8(1)12-9-3-6-11-7-9/h1-2,4-5,9,11H,3,6-7H2
• InChIKey: GCOMELDNUZKQDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyrrolidin-3-yloxy)pyridine
• IUPAC Traditional name: 4-(pyrrolidin-3-yloxy)pyridine
• Synonyms: 4-(pyrrolidin-3-yloxy)pyridine

Database IDs

• MDL Number: MFCD11858542
• PubChem SID: 164293913
• PubChem CID: 18337198

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.745693
• LogD (pH = 7.4): -2.5805595
• Log P: 0.18170057
• Molar Refractivity: 45.6553 cm^3
• Polarizability: 18.265247 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.665

Product Information

• Purity: 95%