| Identification | |
| Name: | 3-Pyridinecarboxylicacid, 6-nitro- |
| Synonyms: | Nicotinicacid, 6-nitro- (6CI,8CI);2-Nitro-5-carboxypyridine;6-Nitronicotinic acid;NSC170849; |
| CAS: | 33225-73-9 |
| Molecular Formula: | C6H4N2O4 |
| Molecular Weight: | 168.11 |
| InChI: | InChI=1S/C6H4N2O4/c9-6(10)4-1-2-5(7-3-4)8(11)12/h1-3H,(H,9,10) |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.57g/cm3 |
| Specification: |
The 6-Nitronicotinic acid is an organic compound with the formula C6H4N2O4. The IUPAC name of this chemical is 6-nitropyridine-3-carboxylic acid. With the CAS registry number 33225-73-9, it is also named as 2-Nitro-5-pyridinecarboxylic acid; 3-pyridinecarboxylic acid, 6-nitro-. The product's categorie is pyridines. In addition, this chemical must be sealed in the container. The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.625; (11)Molar Refractivity: 37.82 cm3; (12)Molar Volume: 107.028 cm3; (13)Polarizability: 14.993×10-24 cm3; (14)Surface Tension: 78.949 dyne/cm; (15)Enthalpy of Vaporization: 72.843 kJ/mol; (16)Vapour Pressure: 0 mmHg at 25°C; (17)Rotatable Bond Count: 1; (18)Exact Mass: 168.017107; (19)MonoIsotopic Mass: 168.017107; (20)Topological Polar Surface Area: 96; (21)Heavy Atom Count: 12; (22)Complexity: 200. People can use the following data to convert to the molecule structure. |
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