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

• ChemBase ID: 289834
• Molecular Formular: C9H8BrN3O2
• Molecular Mass: 270.08272
• Monoisotopic Mass: 268.97998851
• SMILES: O=C(c1cn2c(cncc2Br)n1)OCC
• Canonical SMILES: CCOC(=O)c1cn2c(n1)cncc2Br
• InChI: InChI=1S/C9H8BrN3O2/c1-2-15-9(14)6-5-13-7(10)3-11-4-8(13)12-6/h3-5H,2H2,1H3
• InChIKey: SHEPHIOFWBYNCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 87597-27-1
• PubChem SID: 180675365
• PubChem CID: 24212954

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.5571123
• LogD (pH = 7.4): 0.55712026
• Log P: 0.5571204
• Molar Refractivity: 57.5862 cm^3
• Polarizability: 21.730844 Å^3
• Polar Surface Area: 56.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%