4-Phenylpyridine-2-carboxylic acid ethyl ester

The 2-Pyridinecarboxylic acid, 4-phenyl-, ethyl ester is an organic compound with the formula C₁₄H₁₃NO₂. The systematic name of this chemical is Ethyl 2-phenylpyridine-3-carboxylate. With the CAS registry number 52565-57-8, it is also named as 2-Phenylnicotinic acid ethyl ester. Besides, its molecular weight is 227.25852.

The physical properties of 2-Pyridinecarboxylic acid, 4-phenyl-, ethyl ester are: (1)ACD/LogP: 2.91; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 75; (5)ACD/BCF (pH 7.4): 75; (6)ACD/KOC (pH 5.5): 762; (7)ACD/KOC (pH 7.4): 763; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 39.19 Å²; (11)Index of Refraction: 1.559; (12)Molar Refractivity: 65.342 cm³; (13)Molar Volume: 202.341 cm³; (14)Polarizability: 25.904×10^-24 cm³; (15)Surface Tension: 43.422 dyne/cm; (16)Density: 1.123 g/cm³; (17)Flash Point: 171.244 °C; (18)Enthalpy of Vaporization: 60.515 kJ/mol; (19)Boiling Point: 359.54 °C at 760 mmHg. 

Preparation: this chemical can be prepared by 1-Styrylpyrrolidine and [1,2,4]Triazine-3-carboxylic acid ethyl ester. This reaction will need solvent CHCl₃. The reaction time is 24 h with reaction temperature of 60 °C. The yield is about 49%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c2cccnc2c1ccccc1
(2)InChI: InChI=1/C14H13NO2/c1-2-17-14(16)12-9-6-10-15-13(12)11-7-4-3-5-8-11/h3-10H,2H2,1H3
(3)InChIKey: RQHOSUIKZMCYGD-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C14H13NO2/c1-2-17-14(16)12-9-6-10-15-13(12)11-7-4-3-5-8-11/h3-10H,2H2,1H3
(5)Std. InChIKey: RQHOSUIKZMCYGD-UHFFFAOYSA-N