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Pyridine,5-(bromomethyl)-2-(trifluoromethyl)- (108274-33-5)

Identification
Name:Pyridine,5-(bromomethyl)-2-(trifluoromethyl)-
Synonyms:5-(Bromomethyl)-2-(trifluoromethyl)pyridine;
CAS:108274-33-5
Molecular Formula: C7H5BrF3N
Molecular Weight: 240.02
InChI: InChI=1/C7H5BrF3N/c8-3-5-1-2-6(12-4-5)7(9,10)11/h1-2,4H,3H2
Molecular Structure: (C7H5BrF3N) 5-(Bromomethyl)-2-(trifluoromethyl)pyridine;
Properties
Density:1.647
Refractive index:1.488
Appearance:Light yellow liquid
Specification:

The 5-(Bromomethyl)-2-(trifluoromethyl)pyridine, with cas registry number 108274-33-5, has the systematic name of 5-(bromomethyl)-2-(trifluoromethyl)pyridine. Besides this, it is also called pyridine, 5-(bromomethyl)-2-(trifluoromethyl)-. And the chemical formula of this chemical is C7H5BrF3N.

Physical properties about this chemical are: (1)ACD/LogP: 2.00; (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): 19.45; (6)ACD/BCF (pH 7.4): 19.45; (7)ACD/KOC (pH 5.5): 291.21; (8)ACD/KOC (pH 7.4): 291.21; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.488; (14)Molar Refractivity: 41.97 cm3; (15)Molar Volume: 145.6 cm3; (16)Polarizability: 16.63×10-24cm3; (17)Surface Tension: 32.4 dyne/cm; (18)Enthalpy of Vaporization: 43.63 kJ/mol; (19)Vapour Pressure: 0.186 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccc(CBr)cn1
(2)InChI: InChI=1/C7H5BrF3N/c8-3-5-1-2-6(12-4-5)7(9,10)11/h1-2,4H,3H2
(3)InChIKey: IRQUWHXXVJARBK-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C7H5BrF3N/c8-3-5-1-2-6(12-4-5)7(9,10)11/h1-2,4H,3H2
(5)Std. InChIKey: IRQUWHXXVJARBK-UHFFFAOYSA-N

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