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

• ChemBase ID: 66411
• Molecular Formular: C10H9BrN2O2
• Molecular Mass: 269.09466
• Monoisotopic Mass: 267.98473954
• SMILES: c12ccccn1c(c(n2)C(=O)OCC)Br
• Canonical SMILES: CCOC(=O)c1nc2n(c1Br)cccc2
• InChI: InChI=1S/C10H9BrN2O2/c1-2-15-10(14)8-9(11)13-6-4-3-5-7(13)12-8/h3-6H,2H2,1H3
• InChIKey: MPILHKPXTMEIMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate
• IUPAC Traditional name: ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate
• Synonyms: 3-Bromo-2-(ethoxycarbonyl)imidazo[1,2-a]pyridine; Ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate

Database IDs

• CAS Number: 143982-54-1
• MDL Number: MFCD05864806
• PubChem SID: 162032149
• PubChem CID: 15152339

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7737483
• LogD (pH = 7.4): 1.7747797
• Log P: 1.7747928
• Molar Refractivity: 59.7431 cm^3
• Polarizability: 22.523972 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 76-79°C

Safety Information

• Storage Warning: Harmful; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%