4-Pyridinol,3-nitro- (5435-54-1)

The 3-Nitro-4-hydroxypyridine with cas registry number of 5435-54-1 is light yellow crystalline powder. Its systematic name is 3-nitropyridin-4(1H)-one. And its IUPAC name is known as 3-nitro-1H-pyridin-4-one. It belongs to the categories in NITRO; Pyridine; pharmacetical; Pyridines derivates.

Physical properties about this chemical are: (1)ACD/LogP: -1.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.48; (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): 3.7; (8)ACD/KOC (pH 7.4): 2.37; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.588; (13)Molar Refractivity: 32.54 cm³; (14)Molar Volume: 96.7 cm³ ; (15)Surface Tension: 55.8 dyne/cm; (16)Density: 1.44 g/cm³; (17)Flash Point: 107.9 °C; (18)Enthalpy of Vaporization: 49.22 kJ/mol; (19)Boiling Point: 254.8 °C at 760 mmHg; (20)Vapour Pressure: 0.0169 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. Do not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1\C=C/N/C=C1/[N+](=O)[O-];
(2)InChI: InChI=1/C5H4N2O3/c8-5-1-2-6-3-4(5)7(9)10/h1-3H,(H,6,8);
(3)InChIKey: YUWOLBZMQDGRFV-UHFFFAOYAS