5-Nitroisoquinoline-1-carboxylic acid

The 1-Isoquinolinecarboxylic acid, 5-nitro-, with the CAS registry number 75795-40-3, is also known as 5-Nitro-1-isoquinoline-carboxylic acid. This chemical's molecular formula is C₁₀H₆N₂O₄ and molecular weight is 218.17. What's more, its systematic name is 5-nitroisoquinoline-1-carboxylic acid. 

Physical properties of 1-Isoquinolinecarboxylic acid, 5-nitro- are: (1)ACD/LogP: 0.86; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 85.01 Å²; (7)Index of Refraction: 1.718; (8)Molar Refractivity: 55.66 cm³; (9)Molar Volume: 141.1 cm³; (10)Polarizability: 22.06×10^-24cm³; (11)Surface Tension: 80.5 dyne/cm; (12)Density: 1.545 g/cm³; (13)Flash Point: 249 °C; (14)Enthalpy of Vaporization: 79.44 kJ/mol; (15)Boiling Point: 488.2 °C at 760 mmHg; (16)Vapour Pressure: 2.41E-10 mmHg at 25°C.

Preparation of 1-Isoquinolinecarboxylic acid, 5-nitro-: this chemical can be prepared by 5-nitro-isoquinoline-1-carbonitrile at the temperature of 100 °C. This reaction will need reagent conc. hydrochlorid acid with the reaction time of 5 hours. The yield is about 93%.

Uses of 1-Isoquinolinecarboxylic acid, 5-nitro-: it can be used to produce 1-methoxycarbonyl-5-nitroisoquinoline by heating. It will need reagent conc. sulfuric acid with the reaction time of 3 hours. The yield is about 94%.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2c1ccnc(c1ccc2)C(=O)O
(2)InChI: InChI=1S/C10H6N2O4/c13-10(14)9-7-2-1-3-8(12(15)16)6(7)4-5-11-9/h1-5H,(H,13,14)
(3)InChIKey: GKSMRXCKXZEYGU-UHFFFAOYSA-N