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CAS No.: | 676371-00-9 |
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Name: | 6-BROMO-IMIDAZO[1,2-A]PYRIDIN-8-AMINE |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C7H6BrN3 |
Molecular Weight: | 212.049 |
Synonyms: | 6-Bromoimidazo[1,2-a]pyridin-8-ylamine;6-Bromo-1H-imidazo [1,2-a]pyridine-8-amine;6-BromoH-imidazo[1,2-a]pyridine-8-carboxylic acid;Imidazo[1,2-a]pyridin-8-amine, 6-bromo-; |
Density: | 1.878 g/cm3 |
Hazard Symbols: | Xn |
Risk Codes: | 22-43 |
Safety: | 36/37 |
PSA: | 43.32000 |
LogP: | 2.26020 |
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The IUPAC name of 6-Bromoimidazo[1,2-α]pyridin-8-amine is 6-bromoimidazo[1,2-a]pyridin-8-amine. With the CAS registry number 676371-00-9, it is also named as Imidazo[1,2-a]pyridin-8-amine, 6-bromo-. The product's category is Chiral Chemicals. In addition, its molecular formula is C7H6BrN3 and its molecular weight is 212.05.
The other characteristics of 6-Bromoimidazo[1,2-α]pyridin-8-amine can be summarized as: (1)ACD/LogP: 2.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.42; (4)ACD/LogD (pH 7.4): 2.25; (5)ACD/BCF (pH 5.5): 4.38; (6)ACD/BCF (pH 7.4): 29.44; (7)ACD/KOC (pH 5.5): 57.04; (8)ACD/KOC (pH 7.4): 383.27; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 43.32 Å2; (13)Index of Refraction: 1.753; (14)Molar Refractivity: 46.18 cm3; (15)Molar Volume: 112.9 cm3; (16)Polarizability: 18.3×10-24cm3; (17)Surface Tension: 64.1 dyne/cm; (18)Density: 1.87 g/cm3.
People can use the following data to convert to the molecule structure.
(1)SMILES: Brc1cn2ccnc2c(N)c1
(2)InChI: InChI=1/C7H6BrN3/c8-5-3-6(9)7-10-1-2-11(7)4-5/h1-4H,9H2
(3)InChIKey: NBHRWSCVWCCKDN-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C7H6BrN3/c8-5-3-6(9)7-10-1-2-11(7)4-5/h1-4H,9H2
(5)Std. InChIKey: NBHRWSCVWCCKDN-UHFFFAOYSA-N