The Methyl 5-methylnicotinate with the cas number 29681-45-6 is also called 3-Pyridinecarboxylicacid,5-methyl-,methylester(9CI). Both the systematic name and IUPAC name are methyl 5-methylpyridine-3-carboxylate. Its molecular formula is C₈H₉NO₂. This chemical belongs to the following product categories: (1)CARBOXYLICESTER; (2)Nicotine Derivatives; (3)Metabolites. It is a metabolite of Nicotine.

The properties of the chemical are: (1)ACD/LogP: 1.34; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 39.19 Å²; (7)Index of Refraction: 1.51; (8)Molar Refractivity: 40.94 cm³; (9)Molar Volume: 136.8 cm³; (10)Polarizability: 16.23×10^-24cm³; (11)Surface Tension: 39.9 dyne/cm; (12)Enthalpy of Vaporization: 46.51 kJ/mol; (13)Vapour Pressure: 0.0733 mmHg at 25°C.

Preparation: This chemical can be prepared by the reaction of  diazomethane and 5-methyl-nicotinic acid. This reaction needs solvent diethyl ether and methanol. The yield is 63%.

Uses: This chemical can react with 1-vinyl-pyrrolidin-2-one, to product 5-methylmyosmine. The yield is 71%.

When you are using this chemical, please be cautious about it as the following: (1)Irritating to eyes and skin; (2)In case of contact with eyes, rinse immediately with plenty of water and seek medical advice; (3)Wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1cncc(c1)C
(2)InChI: InChI=1/C8H9NO2/c1-6-3-7(5-9-4-6)8(10)11-2/h3-5H,1-2H3
(3)InChIKey: KQILMMLAGGFMCM-UHFFFAOYAO