The 4-Hydroxy-1,5-naphthyridine with the CAS number 5423-54-1 is also called 1,5-Naphthyridin-4-ol. The systematic name is 1,5-naphthyridin-4(1H)-one . Its molecular formula is C8H6N2O. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 0.83; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 46.01 Å2; (11)Index of Refraction: 1.705; (12)Molar Refractivity: 42.16 cm3; (13)Molar Volume: 108.427 cm3; (14)Polarizability: 16.713×10-24cm3; (15)Surface Tension: 70.708 dyne/cm; (16)Enthalpy of Vaporization: 59.83 kJ/mol; (17)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(c(ccn2)O)nc1
(2)InChI: InChI=1/C8H6N2O/c11-7-3-5-9-6-2-1-4-10-8(6)7/h1-5H,(H,9,11)
(3)InChIKey: NSPLFNGUPLZYHV-UHFFFAOYAN
|