2-Pyridineacetonitrile,5-nitro- (123846-66-2)

The 5-Nitro-2-pyridineacetonitrile with cas registry number of 123846-66-2,  has the systematic name of (5-nitropyridin-2-yl)acetonitrile. And it is also named 2-pyridineacetonitrile, 5-nitro-.

Physical properties about this chemical are: (1)ACD/LogP: -0.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 18; (8)ACD/KOC (pH 7.4): 18; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 82.5 Å²; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 40.352 cm³; (15)Molar Volume: 120.699 cm³; (16)Polarizability: 15.997×10^-24cm³; (17)Surface Tension: 64.306 dyne/cm; (18)Enthalpy of Vaporization: 58.597 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: N#CCc1ccc(cn1)[N+]([O-])=O;
(2)InChI: InChI=1/C7H5N3O2/c8-4-3-6-1-2-7(5-9-6)10(11)12/h1-2,5H,3H2;
(3)InChIKey: PHCKNSBYAFTJKZ-UHFFFAOYAF;
(4)Std. InChI: InChI=1S/C7H5N3O2/c8-4-3-6-1-2-7(5-9-6)10(11)12/h1-2,5H,3H2;
(5)Std. InChIKey: PHCKNSBYAFTJKZ-UHFFFAOYSA-N