Name: 4-Nitro-2,6-pyridinedicarboxylic acid
SKU: 63897-10-9

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Basic Information

Molecular Structure:
CAS No.:	63897-10-9
Name:	4-Nitro-2,6-pyridinedicarboxylic acid
Article Data:	3

Formula:	C₇H₄N₂O₆
Molecular Weight:	212.12
Synonyms:	3-nitropyridine-2,6-dicarboxylic acid;
Density:	1.774 g/cm³
Boiling Point:	527.7 °C at 760 mmHg
Flash Point:	272.9 °C
PSA:	133.31000
LogP:	0.90940

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Specification

The CAS register number of 4-Nitrodipicolinic acid is 63897-10-9. It also can be called as 4-Nitro-2,6-pyridinedicarboxylic acid and the systematic name about this chemical is 3-nitropyridine-2,6-dicarboxylic acid. The molecular formula about this chemical is C₇H₄N₂O₆ and the molecular weight is 212.12.

Physical properties about 4-Nitrodipicolinic acid are: (1)ACD/LogP: -0.80; (2)ACD/LogD (pH 5.5): -4.94; (3)ACD/LogD (pH 7.4): -4.95; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 8; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 111.31Å²; (12)Index of Refraction: 1.671; (13)Molar Refractivity: 44.74 cm³; (14)Molar Volume: 119.5 cm³; (15)Polarizability: 17.74x10^-24cm³; (16)Surface Tension: 103.3 dyne/cm; (17)Enthalpy of Vaporization: 84.45 kJ/mol; (18)Boiling Point: 527.7 °C at 760 mmHg; (19)Vapour Pressure: 5.8E-12 mmHg at 25°C.

Uses of 4-Nitrodipicolinic acid: it can be used to produce 4-nitro-2,6-pyridinedicarbonyl chloride. This reaction will need reagent SOCl₂, dimethylformamide. The yield is about 61%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1nc(ccc1[N+]([O-])=O)C(=O)O
(2)InChI: InChI=1/C7H4N2O6/c10-6(11)3-1-2-4(9(14)15)5(8-3)7(12)13/h1-2H,(H,10,11)(H,12,13)
(3)InChIKey: NZEUUFGQGLSAOL-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C7H4N2O6/c10-6(11)3-1-2-4(9(14)15)5(8-3)7(12)13/h1-2H,(H,10,11)(H,12,13)
(5)Std. InChIKey: NZEUUFGQGLSAOL-UHFFFAOYSA-N