3-chloro-6-(naphthalen-1-yl)pyridazine

• ChemBase ID: 114245
• Molecular Formular: C14H9ClN2
• Molecular Mass: 240.68766
• Monoisotopic Mass: 240.04542598
• SMILES: n1nc(ccc1c1c2c(ccc1)cccc2)Cl
• Canonical SMILES: Clc1ccc(nn1)c1cccc2c1cccc2
• InChI: InChI=1S/C14H9ClN2/c15-14-9-8-13(16-17-14)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H
• InChIKey: NOZNCNVAMRHYIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-6-(naphthalen-1-yl)pyridazine
• IUPAC Traditional name: 3-chloro-6-(naphthalen-1-yl)pyridazine
• Synonyms: 3-chloro-6-(1-naphthyl)pyridazine

Database IDs

• MDL Number: MFCD12439032
• PubChem SID: 162099505
• PubChem CID: 13573467

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.622576
• LogD (pH = 7.4): 3.6225777
• Log P: 3.6225777
• Molar Refractivity: 70.8449 cm^3
• Polarizability: 29.046717 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 5.05

Product Information

• Purity: 95+%