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CAS No.: | 155630-03-8 |
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Name: | 5-Bromo-3-pyrrol-1-yl-pyridin-2-ylamine |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C9H8BrN3 |
Molecular Weight: | 238.087 |
Synonyms: | 5-bromo-3-(1H-pyrrol-1-yl)pyridin-2-amine; |
Density: | 1.639 g/cm3 |
Boiling Point: | 346.673 °C at 760 mmHg |
Flash Point: | 163.462 °C |
PSA: | 43.84000 |
LogP: | 2.79820 |
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The 2-Pyridinamine,5-bromo-3-(1H-pyrrol-1-yl)-, with the CAS registry number 155630-03-8, has the systematic name of 5-bromo-3-(1H-pyrrol-1-yl)pyridin-2-amine. And the molecular formula of this chemical is C9H8BrN3. It belongs to the following product categories: Pyridine series; Halides; Hyridines.
The physical properties of 2-Pyridinamine,5-bromo-3-(1H-pyrrol-1-yl)- are as following: (1)ACD/LogP: 3.54; (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): 288; (6)ACD/BCF (pH 7.4): 288; (7)ACD/KOC (pH 5.5): 2005; (8)ACD/KOC (pH 7.4): 2005; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 43.84 Å2; (13)Index of Refraction: 1.688; (14)Molar Refractivity: 55.403 cm3; (15)Molar Volume: 145.24 cm3; (16)Polarizability: 21.963×10-24cm3; (17)Surface Tension: 55.728 dyne/cm; (18)Density: 1.639 g/cm3; (19)Flash Point: 163.462 °C; (20)Enthalpy of Vaporization: 59.087 kJ/mol; (21)Boiling Point: 346.673 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccn(c1)c2cc(cnc2N)Br
(2)InChI: InChI=1/C9H8BrN3/c10-7-5-8(9(11)12-6-7)13-3-1-2-4-13/h1-6H,(H2,11,12)
(3)InChIKey: WCKNBUSVKFPHEW-UHFFFAOYAB