4-Pyridinecarboxamide, 3-nitro- supplier

Name
3-NITRO-4-PYRIDINECARBOXAMIDE
EINECS
CAS No. 59290-91-4
Article Data2
CAS DataBase
Density 1.476 g/cm³
Solubility
Melting Point
Formula C₆H₅N₃O₃
Boiling Point 342.7 °C at 760 mmHg
Molecular Weight 167.124
Flash Point 161 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Nitroisonicotinamide;
PSA 101.80000
LogP 1.31220

4-Pyridinecarboxamide, 3-nitro- 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

Product Name

3-NITRO-4-PYRIDINECARBOXAMIDE

4-Pyridinecarboxamide, 3-nitro- Specification

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