Methyl 5-hydroxynicotinate

Methyl 5-hydroxynicotinate is an organic compound with the formula C₇H₇NO₃, and its systematic name is the same with the product name. With the CAS registry number 30766-22-4, it is also named as 5-Hydroxynicotinic acidmethyl ester. In addition, the molecular weight is 153.14.

Physical properties of Methyl 5-hydroxynicotinate are: (1)ACD/LogP: 0.185; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.18; (4)ACD/LogD (pH 7.4): 0.13; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 29.73; (8)ACD/KOC (pH 7.4): 26.68; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 59.42 Å²; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 37.999 cm³; (15)Molar Volume: 118.98 cm³; (16)Polarizability: 15.064×10^-24cm³; (17)Surface Tension: 53.17 dyne/cm; (18)Density: 1.287 g/cm³; (19)Flash Point: 180.105 °C; (20)Enthalpy of Vaporization: 64.594 kJ/mol; (21)Boiling Point: 374.192 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Uses of Methyl 5-hydroxynicotinate: it can be used to produce 5-(4-methoxycarbonyl-2-nitro-phenoxy)-nicotinic acid methyl ester at the temperature of 20 °C. It will need reagent K₂CO₃ and solvent dimethylformamide with the reaction time of 6 hours. The yield is about 68.1%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1cncc(O)c1
(2)Std. InChI: InChI=1S/C7H7NO3/c1-11-7(10)5-2-6(9)4-8-3-5/h2-4,9H,1H3
(3)Std. InChIKey: KJJSHOHQQHACLE-UHFFFAOYSA-N