ethyl 2-{6-bromoimidazo[1,2-a]pyridin-3-yl}acetate

• ChemBase ID: 287634
• Molecular Formular: C11H11BrN2O2
• Molecular Mass: 283.12124
• Monoisotopic Mass: 282.0003896
• SMILES: O=C(OCC)Cc1cnc2ccc(Br)cn12
• Canonical SMILES: CCOC(=O)Cc1cnc2n1cc(Br)cc2
• InChI: InChI=1S/C11H11BrN2O2/c1-2-16-11(15)5-9-6-13-10-4-3-8(12)7-14(9)10/h3-4,6-7H,2,5H2,1H3
• InChIKey: NXSULFYVLBGQDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-{6-bromoimidazo[1,2-a]pyridin-3-yl}acetate
• IUPAC Traditional name: ethyl 2-{6-bromoimidazo[1,2-a]pyridin-3-yl}acetate
• Synonyms: Ethyl 2-(6-bromoimidazo[1,2-a]pyridin-3-yl)acetate

Database IDs

• CAS Number: 603311-76-8
• MDL Number: MFCD09839780
• PubChem SID: 180673165
• PubChem CID: 46839968

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.9471084
• LogD (pH = 7.4): 1.5628458
• Log P: 1.5887535
• Molar Refractivity: 64.262 cm^3
• Polarizability: 24.299154 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%