4-(pyrrolidin-3-yloxy)pyridine hydrochloride

• ChemBase ID: 799246
• Molecular Formular: C9H13ClN2O
• Molecular Mass: 200.66532
• Monoisotopic Mass: 200.07164073
• SMILES: Cl.n1ccc(cc1)OC1CNCC1
• Canonical SMILES: C1NCC(C1)Oc1ccncc1.Cl
• InChI: InChI=1S/C9H12N2O.ClH/c1-4-10-5-2-8(1)12-9-3-6-11-7-9;/h1-2,4-5,9,11H,3,6-7H2;1H
• InChIKey: JVISUMSUTIGTRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1264033-82-0

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

Product Information

• Purity: 96%