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CAS No.: | 228710-82-5 |
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Name: | 5-bromo-2-(2,5-dimethyl-1H-pyrrol-1-yl)pyridine |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C11H11BrN2 |
Molecular Weight: | 251.126 |
Synonyms: | 5-Bromo-2-(2,5-dimethylpyrrol-1-yl)pyridine; |
Density: | 1.40 g/cm3 |
Boiling Point: | 330.416 °C at 760 mmHg |
Flash Point: | 153.63 °C |
PSA: | 17.82000 |
LogP: | 3.25160 |
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This chemical is called 5-Bromo-2-(2,5-dimethylpyrrol-1-yl)pyridine, and it can also be named as pyridine, 5-bromo-2-(2,5-dimethyl-1H-pyrrol-1-yl)-. With the molecular formula of C11H11BrN2, its molecular weight is 251.12. The CAS registry number of this chemical is 228710-82-5.
Other characteristics of the 5-Bromo-2-(2,5-dimethylpyrrol-1-yl)pyridine can be summarised as followings: (1)ACD/LogP: 3.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 285; (6)ACD/BCF (pH 7.4): 285; (7)ACD/KOC (pH 5.5): 1990; (8)ACD/KOC (pH 7.4): 1990; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.82 Å2; (13)Index of Refraction: 1.614; (14)Molar Refractivity: 62.336 cm3; (15)Molar Volume: 178.944 cm3; (16)Polarizability: 24.712×10-24cm3; (17)Surface Tension: 40.656 dyne/cm; (18)Density: 1.403 g/cm3; (19)Flash Point: 153.63 °C; (20)Enthalpy of Vaporization: 55.025 kJ/mol; (21)Boiling Point: 330.416 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Brc1cnc(cc1)n2c(C)ccc2C
2.InChI: InChI=1/C11H11BrN2/c1-8-3-4-9(2)14(8)11-6-5-10(12)7-13-11/h3-7H,1-2H3
3.InChIKey: QWMFKVNJIYNWII-UHFFFAOYAG