This chemical is called 5-Fluoro-2-methoxyisonicotinic acid, and it can also be named as 4-pyridinecarboxylic acid, 5-fluoro-2-methoxy-. With the molecular formula of C7H6FNO3, its molecular weight is 171.13. The CAS registry number of this chemical is 884495-30-1, and its product category is API Intermediates.
Other characteristics of the 5-Fluoro-2-methoxyisonicotinic acid can be summarised as followings: (1)ACD/LogP: 1.37; (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: 37.94 cm3; (13)Molar Volume: 123.3 cm3; (14)Polarizability: 15.04×10-24cm3; (15)Surface Tension: 49.5 dyne/cm; (16)Density: 1.386 g/cm3; (17)Flash Point: 178.7 °C; (18)Enthalpy of Vaporization: 65.29 kJ/mol; (19)Boiling Point: 371.8 °C at 760 mmHg; (20)Vapour Pressure: 3.47E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: COc1cc(c(cn1)F)C(=O)O
2.InChI: InChI=1/C7H6FNO3/c1-12-6-2-4(7(10)11)5(8)3-9-6/h2-3H,1H3,(H,10,11)
3.InChIKey: CKSDXJOTYUMLJF-UHFFFAOYAE
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