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CAS No.: | 56051-32-2 |
---|---|
Name: | 3-Bromo-7-methyl-imidazo[1,2-a]pyridine |
Molecular Structure: | |
Formula: | C8H7BrN2 |
Molecular Weight: | 211.06 |
Synonyms: | 3-bromo-7-methylimidazo[1,2-a]pyridine; |
Density: | 1.6g/cm3 |
Hazard Symbols: | T |
Risk Codes: | 22 |
PSA: | 17.30000 |
LogP: | 2.40520 |
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The 3-Bromo-7-methyl-imidazo[1,2-a]pyridine, with CAS registry number 56051-32-2, has the systematic name of 3-bromo-7-methyl-imidazo[1,2-a]pyridine. Besides this, it is also called imidazo[1,2-a]pyridine, 3-bromo-7-methyl-. And the chemical formula of this chemical is C8H7BrN2.
Physical properties of 3-Bromo-7-methyl-imidazo[1,2-a]pyridine: (1)ACD/LogP: 2.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.72; (4)ACD/LogD (pH 7.4): 2.76; (5)ACD/BCF (pH 5.5): 66.81; (6)ACD/BCF (pH 7.4): 73.15; (7)ACD/KOC (pH 5.5): 686.3; (8)ACD/KOC (pH 7.4): 751.4; (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.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccn2c(c1)ncc2Br
(2)InChI: InChI=1/C8H7BrN2/c1-6-2-3-11-7(9)5-10-8(11)4-6/h2-5H,1H3
(3)InChIKey: VLFVKNYEPJOABL-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C8H7BrN2/c1-6-2-3-11-7(9)5-10-8(11)4-6/h2-5H,1H3
(5)Std. InChIKey: VLFVKNYEPJOABL-UHFFFAOYSA-N