ethyl 5-chloroimidazo[1,2-a]pyrazine-2-carboxylate

• ChemBase ID: 292651
• Molecular Formular: C9H8ClN3O2
• Molecular Mass: 225.63172
• Monoisotopic Mass: 225.03050419
• SMILES: CCOC(=O)c1cn2c(cncc2Cl)n1
• Canonical SMILES: CCOC(=O)c1cn2c(n1)cncc2Cl
• InChI: InChI=1S/C9H8ClN3O2/c1-2-15-9(14)6-5-13-7(10)3-11-4-8(13)12-6/h3-5H,2H2,1H3
• InChIKey: NLENKCPJZDVBMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 5-chloroimidazo[1,2-a]pyrazine-2-carboxylate
• IUPAC Traditional name: ethyl 5-chloroimidazo[1,2-a]pyrazine-2-carboxylate
• Synonyms: Ethyl 5-chloroimidazo[1,2-a]pyrazine-2-carboxylate

Database IDs

• CAS Number: 1250999-47-3
• PubChem SID: 180678182
• PubChem CID: 70701008

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.40705958
• LogD (pH = 7.4): 0.40706748
• Log P: 0.40706757
• Molar Refractivity: 54.9873 cm^3
• Polarizability: 20.704794 Å^3
• Polar Surface Area: 56.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%