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CAS No.: | 136117-93-6 |
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Name: | 8-Bromo-6-methylimidazo[1,2-a]pyridine |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C8H7BrN2 |
Molecular Weight: | 211.061 |
Synonyms: | 8-bromo-6-methylimidazo[1,2-a]pyridine;imidazo[1,2-a]pyridine, 8-bromo-6-methyl-; |
Density: | 1.6 g/cm3 |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
PSA: | 17.30000 |
LogP: | 2.40520 |
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The 8-Bromo-6-methylimidazo[1,2-a]pyridine, with the CAS registry number 136117-93-6, is also called imidazo[1,2-a]pyridine, 8-bromo-6-methyl-. It belongs to the following product categories: Blocks; Bromides; Imidazoles; Pyridines. And the molecular formula of the chemical is C8H7BrN2.
The characteristics of 8-Bromo-6-methylimidazo[1,2-a]pyridine are as followings: (1)ACD/LogP: 2.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.21; (4)ACD/LogD (pH 7.4): 2.23; (5)ACD/BCF (pH 5.5): 28.05; (6)ACD/BCF (pH 7.4): 29.29; (7)ACD/KOC (pH 5.5): 373.79; (8)ACD/KOC (pH 7.4): 390.34; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.3 Å2; (13)Index of Refraction: 1.663; (14)Molar Refractivity: 48.69 cm3; (15)Molar Volume: 131.3 cm3; (16)Polarizability: 19.3×10-24cm3; (17)Surface Tension: 46.7 dyne/cm; (18)Density: 1.6 g/cm3.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cc1cn2ccnc2c(Br)c1
(2)InChI: InChI=1/C8H7BrN2/c1-6-4-7(9)8-10-2-3-11(8)5-6/h2-5H,1H3
(3)InChIKey: IEXMXPBKRWDOBC-UHFFFAOYAA