8-chloro-2-methylimidazo[1,2-a]pyrazine

• ChemBase ID: 67040
• Molecular Formular: C7H6ClN3
• Molecular Mass: 167.59564
• Monoisotopic Mass: 167.02502489
• SMILES: c12c(nccn1cc(n2)C)Cl
• Canonical SMILES: Cc1cn2c(n1)c(Cl)ncc2
• InChI: InChI=1S/C7H6ClN3/c1-5-4-11-3-2-9-6(8)7(11)10-5/h2-4H,1H3
• InChIKey: ZZPUXAQVYFAAMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-chloro-2-methylimidazo[1,2-a]pyrazine
• IUPAC Traditional name: 8-chloro-2-methylimidazo[1,2-a]pyrazine
• Synonyms: 8-Chloro-2-methylimidazo[1,2-a]pyrazine

Database IDs

• CAS Number: 85333-43-3
• MDL Number: MFCD09999202
• PubChem SID: 162032776
• PubChem CID: 13389082

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.49680513
• LogD (pH = 7.4): 0.49746066
• Log P: 0.497469
• Molar Refractivity: 44.2371 cm^3
• Polarizability: 16.1614 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: 95+%