4-Pyridinecarboxamide,2-cyano- (98273-47-3)

The 2-Cyano-4-pyridinecarboxamide with cas registry number of 98273-47-3, is also called Isonicotinamide,2-cyano- (6CI) ; 2-Cyanoisonicotinamide .The 2-Cyano-4-pyridinecarboxamide belongs to the following product categorie: (1)amide; (2)pyridine.

Physical properties of 2-Cyano-4-pyridinecarboxamide : (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 19.66; (5)ACD/KOC (pH 7.4): 19.66; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 79.77 Å²; (10)Index of Refraction: 1.596; (11)Molar Refractivity: 37.48 cm³; (12)Molar Volume: 110.1 cm³; (13)Polarizability: 14.85×10^-24cm³; (14)Surface Tension: 72.8 dyne/cm; (15)Enthalpy of Vaporization: 62.53 kJ/mol; (16)Vapour Pressure: 6.69E-06 mmHg at 25°C .

You can still convert the following datas into molecular structure: (1)SMILES:N#Cc1cc(ccn1)C(N)=O; (2)InChI:InChI=1/C7H5N3O/c8-4-6-3-5(7(9)11)1-2-10-6/h1-3H,(H2,9,11); (3)InChIKey:VGJSESNRQXAFHQ-UHFFFAOYAM; (4)Std. InChI:InChI=1S/C7H5N3O/c8-4-6-3-5(7(9)11)1-2-10-6/h1-3H,(H2,9,11); (5)Std. InChIKey:VGJSESNRQXAFHQ-UHFFFAOYSA-N.