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98273-47-3

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Basic Information
CAS No.: 98273-47-3
Name: 4-Pyridinecarboxamide,2-cyano-(9CI)
Molecular Structure:
Molecular Structure of 98273-47-3 (4-Pyridinecarboxamide,2-cyano-(9CI))
Formula: C7H5 N3 O
Molecular Weight: 147.136
Synonyms: Isonicotinamide,2-cyano- (6CI);2-Cyano-4-pyridinecarboxamide;2-Cyanoisonicotinamide;
Density: 1.33g/cm3
Boiling Point: 377.6 °C at 760 mmHg
Flash Point: 182.1 °C
PSA: 80.76000
LogP: 0.93638
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Specification

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.