6-chloro-4-iodo-3-methoxypyridazine

• ChemBase ID: 796319
• Molecular Formular: C5H4ClIN2O
• Molecular Mass: 270.45553
• Monoisotopic Mass: 269.90568844
• SMILES: n1nc(c(cc1Cl)I)OC
• Canonical SMILES: COc1nnc(cc1I)Cl
• InChI: InChI=1S/C5H4ClIN2O/c1-10-5-3(7)2-4(6)8-9-5/h2H,1H3
• InChIKey: AWEZJAIGNOXBAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-4-iodo-3-methoxypyridazine
• IUPAC Traditional name: 6-chloro-4-iodo-3-methoxypyridazine
• Synonyms: 6-Chloro-4-iodo-3-Methoxypyridazine

Database IDs

• CAS Number: 181355-92-0

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.965756
• LogD (pH = 7.4): 1.965756
• Log P: 1.965756
• Molar Refractivity: 49.7697 cm^3
• Polarizability: 18.55188 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%