6-chloro-2-methylimidazo[1,2-b]pyridazine

• ChemBase ID: 287277
• Molecular Formular: C7H6ClN3
• Molecular Mass: 167.59564
• Monoisotopic Mass: 167.02502489
• SMILES: Cc1cn2nc(Cl)ccc2n1
• Canonical SMILES: Clc1ccc2n(n1)cc(n2)C
• InChI: InChI=1S/C7H6ClN3/c1-5-4-11-7(9-5)3-2-6(8)10-11/h2-4H,1H3
• InChIKey: GWHLOBFYCUGPGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-2-methylimidazo[1,2-b]pyridazine
• IUPAC Traditional name: 6-chloro-2-methylimidazo[1,2-b]pyridazine
• Synonyms: 6-Chloro-2-methylimidazo[1,2-b]pyridazine

Database IDs

• CAS Number: 14793-00-1
• MDL Number: MFCD07778346
• PubChem SID: 180672808
• PubChem CID: 10442072

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6047819
• LogD (pH = 7.4): 1.6085168
• Log P: 1.6085646
• Molar Refractivity: 54.2312 cm^3
• Polarizability: 16.131762 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%