METHYL 3-METHYLPYRIDINE-2-CARBOXYLATE

The 2-Pyridinecarboxylicacid, 3-methyl-, methyl ester, with CAS registry number 59718-84-2, belongs to the following product categories: (1)Carboxylicester; (2)Glycinescaffold; (3)Heterocyclic Compounds. It has the systematic name of methyl 3-methylpyridine-2-carboxylate. And the chemical formula of this chemical is C₈H₉NO₂.

Physical properties of 2-Pyridinecarboxylicacid, 3-methyl-, methyl ester: (1)ACD/LogP: 0.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.96; (4)ACD/LogD (pH 7.4): 0.96; (5)ACD/BCF (pH 5.5): 3.18; (6)ACD/BCF (pH 7.4): 3.18; (7)ACD/KOC (pH 5.5): 79.61; (8)ACD/KOC (pH 7.4): 79.69; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 39.19 Å²; (13)Index of Refraction: 1.51; (14)Molar Refractivity: 40.94 cm³; (15)Molar Volume: 136.8 cm³; (16)Polarizability: 16.23×10^-24cm³; (17)Surface Tension: 39.9 dyne/cm; (18)Density: 1.104 g/cm³; (19)Flash Point: 99.6 °C; (20)Enthalpy of Vaporization: 47.81 kJ/mol; (21)Boiling Point: 241.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0365 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 2-Pyridinecarboxylicacid, 3-methyl-, methyl ester irritates to eyes, respiratory system and skin. And this chemical has risk of serious damage to the eyes. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: Cc1cccnc1C(=O)OC
(2)InChI: InChI=1/C8H9NO2/c1-6-4-3-5-9-7(6)8(10)11-2/h3-5H,1-2H3
(3)InChIKey: CCQFKEITVOTHIW-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C8H9NO2/c1-6-4-3-5-9-7(6)8(10)11-2/h3-5H,1-2H3
(5)Std. InChIKey: CCQFKEITVOTHIW-UHFFFAOYSA-N