3-Pyridinecarboxylicacid, 2-fluoro-4-methoxy- (1190315-81-1)

The 2-Fluoro-4-methoxynicotinic acid, with the CAS registry number 1190315-81-1, has the systematic name of 2-fluoro-4-methoxy-pyridine-3-carboxylic acid. And the molecular formula of the chemical is C₇H₆FNO₃.

The characteristics of 2-Fluoro-4-methoxynicotinic acid are as followings: (1)ACD/LogP: 0.05; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 59.42 Å²; (11)Index of Refraction: 1.527; (12)Molar Refractivity: 37.946 cm³; (13)Molar Volume: 123.399 cm³; (14)Polarizability: 15.043×10^-24cm³; (15)Surface Tension: 49.519 dyne/cm; (16)Density: 1.387 g/cm³; (17)Flash Point: 136.434 °C; (18)Enthalpy of Vaporization: 57.25 kJ/mol; (19)Boiling Point: 301.982 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: COc1ccnc(c1C(=O)O)F
(2)InChI: InChI=1/C7H6FNO3/c1-12-4-2-3-9-6(8)5(4)7(10)11/h2-3H,1H3,(H,10,11)
(3)InChIKey: WHEHLONNPASLOU-UHFFFAOYAY