2-Cyano-6-methyl-4-nitropyridine

The 2-Pyridinecarbonitrile,6-methyl-4-nitro-, with the CAS registry number 30235-12-2, has the systematic name and IUPAC name of 6-methyl-4-nitropyridine-2-carbonitrile. And the molecular formula of the chemical is C₇H₅N₃O₂.

The characteristics of 2-Pyridinecarbonitrile,6-methyl-4-nitro- are as followings: (1)ACD/LogP: 0.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.36; (4)ACD/LogD (pH 7.4): 0.36; (5)ACD/BCF (pH 5.5): 1.1; (6)ACD/BCF (pH 7.4): 1.1; (7)ACD/KOC (pH 5.5): 37.24; (8)ACD/KOC (pH 7.4): 37.24; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 82.5 Å²; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 39.77 cm³; (15)Molar Volume: 121.1 cm³; (16)Polarizability: 15.76×10^-24cm³; (17)Surface Tension: 64.9 dyne/cm; (18)Density: 1.34 g/cm³; (19)Flash Point: 146.2 °C; (20)Enthalpy of Vaporization: 55.96 kJ/mol; (21)Boiling Point: 318.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000368 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to respiratory system and skin, and it is also toxic if swallowed. Wht's more, there's risk of serious damage to eyes. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(C#N)nc(c1)C
(2)InChI: InChI=1/C7H5N3O2/c1-5-2-7(10(11)12)3-6(4-8)9-5/h2-3H,1H3
(3)InChIKey: VITXYPUCOQUWPJ-UHFFFAOYAH