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2-Pyridinecarboxylicacid, 4-nitro-, 1-oxide (14933-78-9)

Identification
Name:2-Pyridinecarboxylicacid, 4-nitro-, 1-oxide
Synonyms:Picolinicacid, 4-nitro-, 1-oxide (6CI,7CI,8CI);2-Carboxy-4-nitropyridine N-oxide;2-Carboxylic acid-4-nitropyridine-1-oxide;4-Nitro-2-pyridinecarboxylic acid1-oxide;4-Nitropicolinic acid N-oxide;NSC 63059;
CAS:14933-78-9
EINECS: 239-008-6
Molecular Formula: C6H4N2O5
Molecular Weight: 184.11
InChI: InChI=1/C6H4N2O5/c9-6(10)5-3-4(8(12)13)1-2-7(5)11/h1-3,5H/p+1
Molecular Structure: (C6H4N2O5) Picolinicacid, 4-nitro-, 1-oxide (6CI,7CI,8CI);2-Carboxy-4-nitropyridine N-oxide;2-Carboxylic acid-4...
Properties
Density:1.69g/cm3
Specification:

The 4-Nitropyridine-2-carboxylic acid 1-oxide with cas registry number of 14933-78-9, belongs to the following product categorie: Pyridines. It has the systematic name of 4-nitropyridine-2-carboxylic acid 1-oxide. And its IUPAC name is 4-nitro-1-oxidopyridin-1-ium-2-carboxylic acid.

Physical properties about this chemical are: (1)ACD/LogP: -0.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.81; (4)ACD/LogD (pH 7.4): -3.83; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 96.23 Å2; (13)Index of Refraction: 1.653; (14)Molar Refractivity: 39.81 cm3; (15)Molar Volume: 108.6 cm3; (16)Polarizability: 15.78×10-24cm3; (17)Surface Tension: 82.8 dyne/cm; (18)Enthalpy of Vaporization: 87.8 kJ/mol; (19)Vapour Pressure: 4.34E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: O=C(O)c1[n+]([O-])ccc([N+]([O-])=O)c1;
(2)InChI: InChI=1/C6H4N2O5/c9-6(10)5-3-4(8(12)13)1-2-7(5)11/h1-3H,(H,9,10);
(3)InChIKey: KKYQRQZYRFVFTG-UHFFFAOYAC;
(4)Std. InChI: InChI=1S/C6H4N2O5/c9-6(10)5-3-4(8(12)13)1-2-7(5)11/h1-3H,(H,9,10);
(5)Std. InChIKey: KKYQRQZYRFVFTG-UHFFFAOYSA-N

Safety Data