ethyl 7-bromoimidazo[1,2-a]pyridine-2-carboxylate

• ChemBase ID: 88381
• Molecular Formular: C10H9BrN2O2
• Molecular Mass: 269.09466
• Monoisotopic Mass: 267.98473954
• SMILES: n1c2cc(ccn2cc1C(=O)OCC)Br
• Canonical SMILES: CCOC(=O)c1cn2c(n1)cc(cc2)Br
• InChI: InChI=1S/C10H9BrN2O2/c1-2-15-10(14)8-6-13-4-3-7(11)5-9(13)12-8/h3-6H,2H2,1H3
• InChIKey: ZNBQFCWFNJYWEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 7-bromoimidazo[1,2-a]pyridine-2-carboxylate
• IUPAC Traditional name: ethyl 7-bromoimidazo[1,2-a]pyridine-2-carboxylate
• Synonyms: 7-Bromoimidazo[1,2-a]pyridine-2-carboxylic acid ethyl ester; Ethyl 7-bromoimidazo[1,2-a]pyridine-2-carboxylate; 7-Bromo-2-(ethoxycarbonyl)imidazo[1,2-a]pyridine; Ethyl 7-bromoimidazo[1,2-a]pyridine-2-carboxylate

Database IDs

• MDL Number: MFCD11505036
• PubChem SID: 162104639
• PubChem CID: 51063904

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.066866
• LogD (pH = 7.4): 2.074341
• Log P: 2.0744374
• Molar Refractivity: 59.9611 cm^3
• Polarizability: 22.475298 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 110-112°C

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold
• 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%