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4-Pyridinecarboxylicacid, 2-nitro- (33225-74-0)

Identification
Name:4-Pyridinecarboxylicacid, 2-nitro-
Synonyms:Isonicotinicacid, 2-nitro- (6CI,8CI);2-Nitroisonicotinic acid;
CAS:33225-74-0
Molecular Formula: C6H4N2O4
Molecular Weight: 168.11
InChI: InChI=1/C6H4N2O4/c9-6(10)4-1-2-7-5(3-4)8(11)12/h1-3H,(H,9,10)
Molecular Structure: (C6H4N2O4) Isonicotinicacid, 2-nitro- (6CI,8CI);2-Nitroisonicotinic acid;
Properties
Density:1.57g/cm3
Refractive index:1.625
Specification:

The 2-Nitropyridine-4-carboxylic acid is a chemical compound with formula C6H4N2O4. Its cas registry number is 33225-74-0. Its IUPAC name is called 2-nitropyridine-4-carboxylic acid. This chemical belongs to the categories of pyridines. It is mainly used as a pharmaceutical intermediate.

Physical properties about this chemical are: (1)ACD/LogP: 0.08; (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)Surface Tension: 78.949 dyne/cm; (14)Density: 1.571 g/cm3; (15)Flash Point: 262.344 °C; (16)Enthalpy of Vaporization: 82.22 kJ/mol; (17)Boiling Point: 510.174 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CN=C(C=C1C(=O)O)[N+](=O)[O-];
(2)InChI: InChI=1S/C6H4N2O4/c9-6(10)4-1-2-7-5(3-4)8(11)12/h1-3H,(H,9,10);
(3)InChIKey: SXERXZLYZFAKBX-UHFFFAOYSA-N

Safety Data