3-Cyano-4-trifluoromethyl-6-(4'-bromophenyl)pyridine-2-one (32801-22-2)

This chemical is called 3-Cyano-4-trifluoromethyl-6-(4'-bromophenyl)pyridine-2-one, and its systematic name is 6-(4-bromophenyl)-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile. With the molecular formula of C₁₃H₆BrF₃N₂O, its molecular weight is 343.10. In addition, the CAS registry number of this chemical is 32801-22-2.

Other characteristics of the 3-Cyano-4-trifluoromethyl-6-(4'-bromophenyl)pyridine-2-one can be summarised as followings: (1)ACD/LogP: 3.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.08; (4)ACD/LogD (pH 7.4): 2.4; (5)ACD/BCF (pH 5.5): 128; (6)ACD/BCF (pH 7.4): 26.54; (7)ACD/KOC (pH 5.5): 1105.36; (8)ACD/KOC (pH 7.4): 229.17; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 44.1 Å²; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 68.05 cm³; (15)Molar Volume: 199.6 cm³; (16)Polarizability: 26.97×10^-24cm³; (17)Surface Tension: 52 dyne/cm; (18)Density: 1.71 g/cm³; (19)Flash Point: 206.8 °C; (20)Enthalpy of Vaporization: 67.19 kJ/mol; (21)Boiling Point: 418.4 °C at 760 mmHg; (22)Vapour Pressure: 3.3E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: N#C\C2=C(\C=C(\c1ccc(Br)cc1)NC2=O)C(F)(F)F
(2)InChI: InChI=1/C13H6BrF3N2O/c14-8-3-1-7(2-4-8)11-5-10(13(15,16)17)9(6-18)12(20)19-11/h1-5H,(H,19,20)
(3)InChIKey: UBDNMEINEIKIDK-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C13H6BrF3N2O/c14-8-3-1-7(2-4-8)11-5-10(13(15,16)17)9(6-18)12(20)19-11/h1-5H,(H,19,20)
(5)Std. InChIKey: UBDNMEINEIKIDK-UHFFFAOYSA-N