3-Pyridinecarbonitrile,2,6-dichloro- (40381-90-6)

The 2,6-Dichloronicotinonitrile is an organic compound with the formula C₆H₂Cl₂N₂. The IUPAC name of this chemical is 2,6-dichloropyridine-3-carbonitrile. With the CAS registry number 40381-90-6, it is also named as 3-Pyridinecarbonitrile, 2,6-dichloro-. The product's categorie is heterocyclic compounds. In addition, it can be used as pharmaceutical intermediate.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.93; (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): 13; (6)ACD/BCF (pH 7.4): 13; (7)ACD/KOC (pH 5.5): 219; (8)ACD/KOC (pH 7.4): 219; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.587; (13)Molar Refractivity: 38.774 cm³; (14)Molar Volume: 115.371 cm³; (15)Polarizability: 15.371×10^-24 cm³; (16)Surface Tension: 61.317 dyne/cm; (17)Enthalpy of Vaporization: 52.508 kJ/mol; (18)Vapour Pressure: 0.003 mmHg at 25°C; (19)Exact Mass: 171.959503; (20)MonoIsotopic Mass: 171.959503; (21)Topological Polar Surface Area: 36.7; (22)Heavy Atom Count: 10; (23)Complexity: 162.

When you are using this chemical, please be cautious about it as the following:
It is toxic if swallowed and risk of serious damage to the eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear eye / face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
1. SMILES: N#Cc1ccc(Cl)nc1Cl;
2. InChI: InChI=1/C6H2Cl2N2/c7-5-2-1-4(3-9)6(8)10-5/h1-2H.