ETHYL 5-FLUORONICOTINATE

The 3-Pyridinecarboxylicacid, 5-fluoro-, ethyl ester, with CAS registry number 22620-29-7, belongs to the following product categories: (1)Esters; (2)Pyridines. It has the systematic name of ethyl 5-fluoropyridine-3-carboxylate. Besides this, it is also called Ethyl 5-fluoronicotinate. And the chemical formula of this chemical is C₈H₈FNO₂.

Physical properties of 3-Pyridinecarboxylicacid, 5-fluoro-, ethyl ester: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.269; (4)ACD/LogD (pH 7.4): 1.269; (5)ACD/BCF (pH 5.5): 5.426; (6)ACD/BCF (pH 7.4): 5.426; (7)ACD/KOC (pH 5.5): 116.778; (8)ACD/KOC (pH 7.4): 116.78; (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: 1.489; (14)Molar Refractivity: 40.744 cm³; (15)Molar Volume: 141.266 cm³; (16)Polarizability: 16.152×10^-24cm³; (17)Surface Tension: 39.069 dyne/cm; (18)Density: 1.197 g/cm³; (19)Flash Point: 83.241 °C; (20)Enthalpy of Vaporization: 45.035 kJ/mol; (21)Boiling Point: 214.027 °C at 760 mmHg; (22)Vapour Pressure: 0.159 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 3-Pyridinecarboxylicacid, 5-fluoro-, ethyl ester irritates to eyes, respiratory system and skin. 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: CCOC(=O)c1cc(cnc1)F
(2)InChI: InChI=1/C8H8FNO2/c1-2-12-8(11)6-3-7(9)5-10-4-6/h3-5H,2H2,1H3
(3)InChIKey: GAOUAPNRNSFZGW-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C8H8FNO2/c1-2-12-8(11)6-3-7(9)5-10-4-6/h3-5H,2H2,1H3
(5)Std. InChIKey: GAOUAPNRNSFZGW-UHFFFAOYSA-N