2-Pyridinecarboxylicacid, 4-bromo-, ethyl ester (62150-47-4)

The 4-Bromopyridine-2-carboxylic acid ethyl ester, with the cas registry number 62150-47-4, has the systematic name of Ethyl 4-bromopyridine-2-carboxylate which also is its IUPAC name. And the molecular formula of the chemical is C₈H₈BrNO₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.76; (4)ACD/LogD (pH 7.4): 1.76; (5)ACD/BCF (pH 5.5): 12.78; (6)ACD/BCF (pH 7.4): 12.78; (7)ACD/KOC (pH 5.5): 215.67; (8)ACD/KOC (pH 7.4): 215.67; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 39.19 Å²; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 48.44 cm³; (15)Molar Volume: 153.2 cm³; (16)Polarizability: 19.2×10^-24cm³; (17)Surface Tension: 44.8 dyne/cm; (18)Density: 1.501 g/cm³; (19)Flash Point: 134.8 °C; (20)Enthalpy of Vaporization: 53.93 kJ/mol; (21)Boiling Point: 299.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0012 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCOC(=O)c1cc(ccn1)Br
(2)InChI: InChI=1/C8H8BrNO2/c1-2-12-8(11)7-5-6(9)3-4-10-7/h3-5H,2H2,1H3
(3)InChIKey: ATVHAWNFNGFPEM-UHFFFAOYAN