3-chloro-6-(piperidin-4-yloxy)pyridazine

• ChemBase ID: 115767
• Molecular Formular: C9H12ClN3O
• Molecular Mass: 213.66408
• Monoisotopic Mass: 213.0668897
• SMILES: n1nc(Cl)ccc1OC1CCNCC1
• Canonical SMILES: Clc1ccc(nn1)OC1CCNCC1
• InChI: InChI=1S/C9H12ClN3O/c10-8-1-2-9(13-12-8)14-7-3-5-11-6-4-7/h1-2,7,11H,3-6H2
• InChIKey: HZJIMSRPPBRERY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-6-(piperidin-4-yloxy)pyridazine
• IUPAC Traditional name: 3-chloro-6-(piperidin-4-yloxy)pyridazine
• Synonyms: 3-chloro-6-(piperidin-4-yloxy)pyridazine hydrochloride

Database IDs

• MDL Number: MFCD09607612
• PubChem SID: 162100889
• PubChem CID: 45787264

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.5268223
• LogD (pH = 7.4): -1.6824346
• Log P: 0.68056977
• Molar Refractivity: 56.5636 cm^3
• Polarizability: 21.212044 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