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59290-91-4

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Basic Information
CAS No.: 59290-91-4
Name: 3-NITRO-4-PYRIDINECARBOXAMIDE
Article Data: 2
Molecular Structure:
Molecular Structure of 59290-91-4 (3-NITRO-4-PYRIDINECARBOXAMIDE)
Formula: C6H5N3O3
Molecular Weight: 167.124
Synonyms: 3-Nitroisonicotinamide;
Density: 1.476 g/cm3
Boiling Point: 342.7 °C at 760 mmHg
Flash Point: 161 °C
PSA: 101.80000
LogP: 1.31220
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Specification

The 4-Pyridinecarboxamide, 3-nitro-, with the CAS registry number 59290-91-4, is also known as 3-Nitroisonicotinamide. This chemical's molecular formula is C6H5N3O3 and molecular weight is 167.12. What's more, its IUPAC name is 3-Nitropyridine-4-carboxamide. 

Physical properties about 4-Pyridinecarboxamide, 3-nitro- are: (1)ACD/LogP: -0.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.74; (4)ACD/LogD (pH 7.4): -0.74; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.4; (8)ACD/KOC (pH 7.4): 9.4; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 79.02 Å2; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 39.82 cm3; (15)Molar Volume: 113.1 cm3; (16)Polarizability: 15.78×10-24 cm3; (17)Surface Tension: 73.3 dyne/cm; (18)Density: 1.476 g/cm3; (19)Flash Point: 161 °C; (20)Enthalpy of Vaporization: 58.64 kJ/mol; (21)Boiling Point: 342.7 °C at 760 mmHg; (22)Vapour Pressure: 7.41E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1c(C(=O)N)ccnc1
(2) InChI: InChI=1/C6H5N3O3/c7-6(10)4-1-2-8-3-5(4)9(11)12/h1-3H,(H2,7,10)
(3) InChIKey: NEUQZALGOQOMPZ-UHFFFAOYAE