6-chloro-3-phenyl-4-(pyridin-2-yl)pyridazine

• ChemBase ID: 63288
• Molecular Formular: C15H10ClN3
• Molecular Mass: 267.713
• Monoisotopic Mass: 267.05632502
• SMILES: c1ccc(c2c(c3ccccc3)nnc(Cl)c2)nc1
• Canonical SMILES: Clc1nnc(c(c1)c1ccccn1)c1ccccc1
• InChI: InChI=1S/C15H10ClN3/c16-14-10-12(13-8-4-5-9-17-13)15(19-18-14)11-6-2-1-3-7-11/h1-10H
• InChIKey: HBHZYLPGIAJEFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-3-phenyl-4-(pyridin-2-yl)pyridazine
• IUPAC Traditional name: 6-chloro-3-phenyl-4-(pyridin-2-yl)pyridazine
• Synonyms: 3-Chloro-5-pyridyl-6-phenylpyridazine

Database IDs

• CAS Number: 1007554-45-1
• MDL Number: MFCD17214342
• PubChem SID: 162029027
• PubChem CID: 66521712

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.4421327
• LogD (pH = 7.4): 3.4484234
• Log P: 3.4485042
• Molar Refractivity: 77.002 cm^3
• Polarizability: 31.57443 Å^3
• Polar Surface Area: 38.67 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%