ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate

• ChemBase ID: 289617
• Molecular Formular: C10H9BrN2O2
• Molecular Mass: 269.09466
• Monoisotopic Mass: 267.98473954
• SMILES: O=C(c1cnc2ccc(Br)cn12)OCC
• Canonical SMILES: CCOC(=O)c1cnc2n1cc(Br)cc2
• InChI: InChI=1S/C10H9BrN2O2/c1-2-15-10(14)8-5-12-9-4-3-7(11)6-13(8)9/h3-6H,2H2,1H3
• InChIKey: VMTDOHAWLUJHAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate
• IUPAC Traditional name: ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate
• Synonyms: Ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate

Database IDs

• CAS Number: 372198-69-1
• PubChem SID: 180675148
• PubChem CID: 22031055

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7823962
• LogD (pH = 7.4): 1.8082464
• Log P: 1.8085881
• Molar Refractivity: 60.2106 cm^3
• Polarizability: 22.476864 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%