1,3-Dihydro-7-nitro-2H-imidazo[4,5-c]pyridin-2-one (61719-60-6)

The CAS register number of 1,3-Dihydro-7-nitro-2H-imidazo[4,5-c]pyridin-2-one is 61719-60-6. The systematic name about this chemical is 7-nitro-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one. The molecular formula about this chemical is C₆H₄N₄O₃ and the molecular weight is 180.12.

Physical properties about 1,3-Dihydro-7-nitro-2H-imidazo[4,5-c]pyridin-2-one are: (1)ACD/LogP: -0.01; (2)#H bond acceptors: 7; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 82.26Ų; (6)Index of Refraction: 1.645; (7)Molar Refractivity: 40.66 cm³; (8)Molar Volume: 112.1 cm³; (9)Polarizability: 16.12x10^-24cm³; (10)Surface Tension: 71.9 dyne/cm; (11)Enthalpy of Vaporization: 46.36 kJ/mol; (12)Boiling Point: 227 °C at 760 mmHg; (13)Vapour Pressure: 0.0794 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1c2c(cnc1)NC(=O)N2
(2)InChI: InChI=1/C6H4N4O3/c11-6-8-3-1-7-2-4(10(12)13)5(3)9-6/h1-2H,(H2,8,9,11)
(3)InChIKey: ITNADQHDSICALJ-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C6H4N4O3/c11-6-8-3-1-7-2-4(10(12)13)5(3)9-6/h1-2H,(H2,8,9,11)
(5)Std. InChIKey: ITNADQHDSICALJ-UHFFFAOYSA-N