3-Pyridinecarbonitrile,1,2-dihydro-6-hydroxy-2-oxo-4-(trifluoromethyl)- (3335-46-4)

The 2,6-Dihydroxy-4-(trifluoromethyl)nicotinonitrile with the CAS number 3335-46-4 is also called 3-Pyridinecarbonitrile,1,2-dihydro-6-hydroxy-2-oxo-4-(trifluoromethyl)-. The systematic name is 2-hydroxy-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carbonitrile. Its molecular formula is C₇H₃F₃N₂O₂. This chemical is irritant. While using this chemical, you should be very cautious.

The properties of the chemical are: (1)ACD/LogP: 0.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.09; (4)ACD/LogD (pH 7.4): -3.25; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 53.33 Å²; (13)Index of Refraction: 1.508; (14)Molar Refractivity: 37.15 cm³; (15)Molar Volume: 124.5 cm³; (16)Polarizability: 14.73×10^-24cm³; (17)Surface Tension: 48.3 dyne/cm; (18)Enthalpy of Vaporization: 57.18 kJ/mol; (19)Vapour Pressure: 0.00258 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C=1\C(\C#N)=C(\O)NC(=O)C=1
(2)InChI: InChI=1/C7H3F3N2O2/c8-7(9,10)4-1-5(13)12-6(14)3(4)2-11/h1H,(H2,12,13,14)
(3)InChIKey: JRLZWXISQMMITA-UHFFFAOYAX