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| CAS No.: | 112581-95-0 |
|---|---|
| Name: | 2-BROMOIMIDAZO[1,2-A]PYRIDINE |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C7H5BrN2 |
| Molecular Weight: | 197.034 |
| Synonyms: | 2-Bromoimidazo[1,2-a]pyridine;2-broMoindolizine;IMidazo[1,2-a]pyridine, 2-broMo-;2-broMo-1,5-dihydroiMidazo[1,2-a]pyridine;2-BroMoiMidazo |
| Density: | 1.697 g/cm3 |
| PSA: | 17.30000 |
| LogP: | 2.09680 |
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Specification
This product is an organic compound with the formula C7H5BrN2. The systematic name of this chemical is 2-bromoimidazo[1,2-a]pyridine. With the CAS registry number 112581-95-0, it is also named as imidazo[1,2-a]pyridine, 2-bromo-. In addition, the molecular weight is 197.03.
The other characteristics of 2-Bromoimidazo[1,2-a]pyridine can be summarized as: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 24; (6)ACD/BCF (pH 7.4): 24; (7)ACD/KOC (pH 5.5): 332; (8)ACD/KOC (pH 7.4): 340; (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: 1.688; (14)Molar Refractivity: 44.27 cm3; (15)Molar Volume: 116.077 cm3; (16)Polarizability: 17.55×10-24 cm3; (17)Surface Tension: 52.493 dyne/cm; (18)Density: 1.697 g/cm3.
People can use the following data to convert to the molecule structure.
1. SMILES:Brc1cn2ccccc2n1
2. InChI:InChI=1/C7H5BrN2/c8-6-5-10-4-2-1-3-7(10)9-6/h1-5H
3. InChIKey:GZMVKXPKVWQQLO-UHFFFAOYAT
4. Std. InChI:InChI=1S/C7H5BrN2/c8-6-5-10-4-2-1-3-7(10)9-6/h1-5H
5. Std. InChIKey:GZMVKXPKVWQQLO-UHFFFAOYSA-N