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| CAS No.: | 67625-37-0 |
|---|---|
| Name: | Ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate |
| Article Data: | 15 |
| Molecular Structure: | |
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| Formula: | C10H9BrN2O2 |
| Molecular Weight: | 269.098 |
| Synonyms: | 6-Bromoimidazo[1,2-a]pyridine-2-carboxylicacid ethyl ester;Ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;imidazo[1,2-a]pyridine-2-carboxylic acid, 6-bromo-, ethyl ester;Ethyl6-bromoimidazo[1,2-a]pyridine-2-carboxylate; |
| Density: | 1.6 g/cm3 |
| Melting Point: | 69-72℃ |
| Hazard Symbols: | Xi |
| Risk Codes: | Xi:; ">  Xi:; |
| PSA: | 43.60000 |
| LogP: | 2.27350 |
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Specification
The Ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate, with the cas registry number 67625-37-0, has the systematic name of ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate. It belongs to the following product categories: Blocks; Bromides; Imidazoles; Pyridines; Esters; Fused Ring Systems. And the molecular formula of the chemical is C10H9BrN2O2.
The characteristics of this chemical are as followings: (1)ACD/LogP: 2.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.61; (4)ACD/LogD (pH 7.4): 2.61; (5)ACD/BCF (pH 5.5): 56.22; (6)ACD/BCF (pH 7.4): 56.23; (7)ACD/KOC (pH 5.5): 622.54; (8)ACD/KOC (pH 7.4): 622.61; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 43.6 Å2; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 60.15 cm3; (15)Molar Volume: 167.5 cm3; (16)Polarizability: 23.8×10-24cm3; (17)Surface Tension: 50 dyne/cm.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1cn2cc(nc2cc1)C(=O)OCC
(2)InChI: InChI=1/C10H9BrN2O2/c1-2-15-10(14)8-6-13-5-7(11)3-4-9(13)12-8/h3-6H,2H2,1H3
(3)InChIKey: MWDCKDQQAFZDOH-UHFFFAOYAN