3-chloro-6-(piperidin-3-yloxy)pyridazine

• ChemBase ID: 115777
• Molecular Formular: C9H12ClN3O
• Molecular Mass: 213.66408
• Monoisotopic Mass: 213.0668897
• SMILES: n1nc(Cl)ccc1OC1CNCCC1
• Canonical SMILES: Clc1ccc(nn1)OC1CCCNC1
• InChI: InChI=1S/C9H12ClN3O/c10-8-3-4-9(13-12-8)14-7-2-1-5-11-6-7/h3-4,7,11H,1-2,5-6H2
• InChIKey: AFAQCDVDGPIHIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-6-(piperidin-3-yloxy)pyridazine
• IUPAC Traditional name: 3-chloro-6-(piperidin-3-yloxy)pyridazine
• Synonyms: 3-chloro-6-(piperidin-3-yloxy)pyridazine hydrochloride

Database IDs

• MDL Number: MFCD09607614
• PubChem SID: 162101369
• PubChem CID: 45787268

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.0054858
• LogD (pH = 7.4): -0.78167
• Log P: 1.1379727
• Molar Refractivity: 56.3428 cm^3
• Polarizability: 21.212032 Å^3
• Polar Surface Area: 47.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.532

Product Information

• Purity: 95+%
• Salt Data: HCl