2-chloro-7-methylimidazo[1,5-b]pyridazine

• ChemBase ID: 71240
• Molecular Formular: C7H6ClN3
• Molecular Mass: 167.59564
• Monoisotopic Mass: 167.02502489
• SMILES: c12ccc(nn1c(nc2)C)Cl
• Canonical SMILES: Clc1ccc2n(n1)c(C)nc2
• InChI: InChI=1S/C7H6ClN3/c1-5-9-4-6-2-3-7(8)10-11(5)6/h2-4H,1H3
• InChIKey: JNADBLXMSKZXHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-7-methylimidazo[1,5-b]pyridazine
• IUPAC Traditional name: 2-chloro-7-methylimidazo[1,5-b]pyridazine
• Synonyms: 2-Chloro-7-methylimidazo-[1,5-b]pyridazine

Database IDs

• MDL Number: MFCD22378813
• PubChem SID: 162036830
• PubChem CID: 71299219

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0702156
• LogD (pH = 7.4): 1.2491404
• Log P: 1.2521155
• Molar Refractivity: 54.4807 cm^3
• Polarizability: 16.779161 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%