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

• ChemBase ID: 91771
• Molecular Formular: C10H9BrN2O2
• Molecular Mass: 269.09466
• Monoisotopic Mass: 267.98473954
• SMILES: n12cc(Br)ccc1nc(c2)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1cn2c(n1)ccc(c2)Br
• InChI: InChI=1S/C10H9BrN2O2/c1-2-15-10(14)8-6-13-5-7(11)3-4-9(13)12-8/h3-6H,2H2,1H3
• InChIKey: MWDCKDQQAFZDOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate
• IUPAC Traditional name: ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate
• Synonyms: 6-Bromo-2-(ethoxycarbonyl)imidazo[1,2-a]pyridine; Ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate 98%; 6-Bromoimidazo[1,2-a]pyridine-2-carboxylic acid ethyl ester; Ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate

Database IDs

• CAS Number: 67625-37-0
• MDL Number: MFCD06659034
• PubChem SID: 162078470
• PubChem CID: 7141939

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0633023
• LogD (pH = 7.4): 2.0742953
• Log P: 2.0744374
• Molar Refractivity: 59.9611 cm^3
• Polarizability: 22.478155 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 69-72°C

Safety Information

• Storage Warning: Harmful/Light Sensitive/Keep Cold/Store under Argon
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 95%