3-chloro-6-[(5-chloropyridin-3-yl)oxy]pyridazine

• ChemBase ID: 79156
• Molecular Formular: C9H5Cl2N3O
• Molecular Mass: 242.0615
• Monoisotopic Mass: 240.98096716
• SMILES: n1c(ccc(n1)Cl)Oc1cc(cnc1)Cl
• Canonical SMILES: Clc1ccc(nn1)Oc1cncc(c1)Cl
• InChI: InChI=1S/C9H5Cl2N3O/c10-6-3-7(5-12-4-6)15-9-2-1-8(11)13-14-9/h1-5H
• InChIKey: QVUIBPOMRSTXEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-6-[(5-chloropyridin-3-yl)oxy]pyridazine
• IUPAC Traditional name: 3-chloro-6-[(5-chloropyridin-3-yl)oxy]pyridazine
• Synonyms: 3-chloro-6-[(5-chloro-3-pyridyl)oxy]pyridazine

Database IDs

• CAS Number: 175135-61-2
• MDL Number: MFCD00067798
• PubChem SID: 162043919
• PubChem CID: 6409787

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0805783
• LogD (pH = 7.4): 2.081135
• Log P: 2.0811422
• Molar Refractivity: 58.8327 cm^3
• Polarizability: 21.916819 Å^3
• Polar Surface Area: 47.9 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true