6-chloro-3-methylimidazo[1,2-b]pyridazine

• ChemBase ID: 65175
• Molecular Formular: C7H6ClN3
• Molecular Mass: 167.59564
• Monoisotopic Mass: 167.02502489
• SMILES: c1c(nn2c(c1)ncc2C)Cl
• Canonical SMILES: Clc1ccc2n(n1)c(C)cn2
• InChI: InChI=1S/C7H6ClN3/c1-5-4-9-7-3-2-6(8)10-11(5)7/h2-4H,1H3
• InChIKey: BJAPDMDUQWVOIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-3-methylimidazo[1,2-b]pyridazine
• IUPAC Traditional name: 6-chloro-3-methylimidazo[1,2-b]pyridazine
• Synonyms: 6-Chloro-3-methylimidazo[1,2-b]pyridazine

Database IDs

• CAS Number: 137384-48-6
• MDL Number: MFCD09991804
• PubChem SID: 162030914
• PubChem CID: 10630925

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6602588
• LogD (pH = 7.4): 1.6765435
• Log P: 1.6767558
• Molar Refractivity: 54.7894 cm^3
• Polarizability: 16.129194 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%