4,6-DIMETHYL-3-HYDROXYPYRIDINE

The 3-Pyridinol,4,6-dimethyl-, with CAS registry number 27296-77-1, belongs to the following product category: Pyridines. It has the systematic name of 4,6-dimethylpyridin-3-ol. Besides this, it is also called 4,6-Dimethyl-3-hydroxypyridine. And the chemical formula of this chemical is C₇H₉NO.

Physical properties of 3-Pyridinol,4,6-dimethyl-: (1)ACD/LogP: 0.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 14; (8)ACD/KOC (pH 7.4): 42; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 33.12 Å²; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 35.876 cm³; (15)Molar Volume: 113.637 cm³; (16)Polarizability: 14.222×10^-24cm³; (17)Surface Tension: 43.431 dyne/cm; (18)Density: 1.084 g/cm³; (19)Flash Point: 136.971 °C; (20)Enthalpy of Vaporization: 56.482 kJ/mol; (21)Boiling Point: 302.87 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

Preparation: this chemical can be prepared by 4,6-dimethyl-pyridin-3-ylamine. This reaction will need reagents 10% aq. sulfuric acid, aq. sodium nitrite. The yield is about 51%.

Uses of 3-Pyridinol,4,6-dimethyl-: it can be used to produce 2,4-dimethyl-5-hydroxypyridine N-oxide. This reaction will need reagents 30%aq. hydrogen peroxide, glacial acetic acid. The reaction time is 9 hour(s) with reaction temperature of 80 ℃. The yield is about 37%.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cnc(C)cc1C
(2)InChI: InChI=1/C7H9NO/c1-5-3-6(2)8-4-7(5)9/h3-4,9H,1-2H3
(3)InChIKey: OICQOTPIZHVKQL-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C7H9NO/c1-5-3-6(2)8-4-7(5)9/h3-4,9H,1-2H3
(5)Std. InChIKey: OICQOTPIZHVKQL-UHFFFAOYSA-N