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

• ChemBase ID: 65198
• Molecular Formular: C6H3ClIN3
• Molecular Mass: 279.46559
• Monoisotopic Mass: 278.90602279
• SMILES: c1c(nn2c(c1)ncc2I)Cl
• Canonical SMILES: Clc1ccc2n(n1)c(I)cn2
• InChI: InChI=1S/C6H3ClIN3/c7-4-1-2-6-9-3-5(8)11(6)10-4/h1-3H
• InChIKey: IWHCPHZAMFSDFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 923595-49-7
• MDL Number: MFCD11044749
• PubChem SID: 162030937
• PubChem CID: 53249897

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5651586
• LogD (pH = 7.4): 2.6025994
• Log P: 2.6031015
• Molar Refractivity: 61.3011 cm^3
• Polarizability: 19.839792 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: 96%