2-[(3-Nitro-2-pyridinyl)amino]ethanol (50798-38-4)

The 2-[(3-Nitro-2-pyridinyl)amino]ethanol, with the CAS registry number 50798-38-4, is also known as Ethanol, 2-[(3-nitro-2-pyridinyl)amino]-. This chemical's molecular formula is C₇H₉N₃O₃ and molecular weight is 183.16. Its systematic name is called 2-[(3-nitropyridin-2-yl)amino]ethanol.

Physical properties of 2-[(3-Nitro-2-pyridinyl)amino]ethanol: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.99; (4)ACD/LogD (pH 7.4): 0.99; (5)ACD/BCF (pH 5.5): 3.32; (6)ACD/BCF (pH 7.4): 3.32; (7)ACD/KOC (pH 5.5): 82.12; (8)ACD/KOC (pH 7.4): 82.15; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.649; (13)Molar Refractivity: 46.66 cm³; (14)Molar Volume: 127.9 cm³; (15)Surface Tension: 71.6 dyne/cm; (16)Density: 1.431 g/cm³; (17)Flash Point: 188.6 °C; (18)Enthalpy of Vaporization: 67.23 kJ/mol; (19)Boiling Point: 388.2 °C at 760 mmHg; (20)Vapour Pressure: 1.01E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cccnc1NCCO
(2)InChI: InChI=1/C7H9N3O3/c11-5-4-9-7-6(10(12)13)2-1-3-8-7/h1-3,11H,4-5H2,(H,8,9)
(3)InChIKey: KSBCSRCDLQUKSY-UHFFFAOYAB