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2-Amino-5-nitronicotinic acid (6760-14-1)

Identification
Name:2-Amino-5-nitronicotinic acid
Synonyms:2-amino-5-nitro-pyridine-3-carboxylic acid;2-amino-5-nitronicotinic acid/6760-14-1;
CAS:6760-14-1
Molecular Formula: C6H5N3O4
Molecular Weight: 183.12
InChI: InChI=1/C6H5N3O4/c7-5-4(6(10)11)1-3(2-8-5)9(12)13/h1-2H,(H2,7,8)(H,10,11)
Molecular Structure: (C6H5N3O4) 2-amino-5-nitro-pyridine-3-carboxylic acid;2-amino-5-nitronicotinic acid/6760-14-1;
Properties
Density:1.675 g/cm3
Refractive index:1.695
Specification:

The 2-Amino-5-nitronicotinic acid, with CAS registry number 6760-14-1, belongs to the following product category: Pyridine. Its systematic name and its IUPAC name are the same, which is 2-amino-5-nitropyridine-3-carboxylic acid. Besides this, it is also called 3-pyridinecarboxylic acid, 2-amino-5-nitro-. And the chemical formula of this chemical is C6H5N3O4.

Physical properties of 2-Amino-5-nitronicotinic acid: (1)ACD/LogP: 1.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.58; (4)ACD/LogD (pH 7.4): -1.68; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.43; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 88.25 Å2; (13)Index of Refraction: 1.695; (14)Molar Refractivity: 42.05 cm3; (15)Molar Volume: 109.3 cm3; (16)Polarizability: 16.67×10-24cm3; (17)Surface Tension: 99 dyne/cm; (18)Enthalpy of Vaporization: 75.61 kJ/mol; (19)Vapour Pressure: 3.68E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: O=C(O)c1cc(cnc1N)[N+]([O-])=O
(2)InChI: InChI=1/C6H5N3O4/c7-5-4(6(10)11)1-3(2-8-5)9(12)13/h1-2H,(H2,7,8)(H,10,11)
(3)InChIKey: OVKURXPJUDVKKU-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C6H5N3O4/c7-5-4(6(10)11)1-3(2-8-5)9(12)13/h1-2H,(H2,7,8)(H,10,11)
(5)Std. InChIKey: OVKURXPJUDVKKU-UHFFFAOYSA-N

Safety Data
 

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