Ethanone, 1-(3-hydroxy-4-pyridinyl)- (9CI)

The 4-Acetyl-3-hydroxypyridine, with the CAS registry number 30152-05-7, is also known as 3-Hydroxy-4-acetylpyridine. It belongs to the product category of Acetylgroup. This chemical's molecular formula is C₇H₇NO₂ and molecular weight is 137.14. What's more, its systematic name is 1-(3-Hydroxy-4-pyridinyl)ethanone.

Physical properties of 4-Acetyl-3-hydroxypyridine are: (1)ACD/LogP: 1.188; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.16; (4)ACD/LogD (pH 7.4): 0.88; (5)ACD/BCF (pH 5.5): 4.46; (6)ACD/BCF (pH 7.4): 2.33; (7)ACD/KOC (pH 5.5): 99.89; (8)ACD/KOC (pH 7.4): 52.27; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 50.19 Å²; (13)Index of Refraction: 1.557; (14)Molar Refractivity: 36.254 cm³; (15)Molar Volume: 112.617 cm³; (16)Polarizability: 14.372×10^-24cm³; (17)Surface Tension: 51.5 dyne/cm; (18)Density: 1.218 g/cm³; (19)Flash Point: 157.291 °C; (20)Enthalpy of Vaporization: 60.26 kJ/mol; (21)Boiling Point: 336.468 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-acetyl-3-methoxypyridine by heating. This reaction will need reagent 48percent aq. HBr with the reaction time of 24 hours. The yield is about 73%.

Uses of 4-Acetyl-3-hydroxypyridine: it can be used to produce Ethyl 2-(4-Acetyl-3-pyridyloxy)acetate by heating. It will need reagent K₂CO₃ and solvent acetone with the reaction time of 2 hours. The yield is about 31.4%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C)c1ccncc1O
(2)Std. InChI: InChI=1S/C7H7NO2/c1-5(9)6-2-3-8-4-7(6)10/h2-4,10H,1H3
(3)Std. InChIKey: REYSBWKWFPSDDR-UHFFFAOYSA-N