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101419-78-7

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Basic Information
CAS No.: 101419-78-7
Name: 2-(4-Fluorophenyl)nicotinic acid
Article Data: 2
Molecular Structure:
Molecular Structure of 101419-78-7 (2-(4-Fluorophenyl)nicotinic acid)
Formula: C12H8FNO2
Molecular Weight: 217.199
Synonyms: 2-(4-fluorophenyl)pyridine-3-carboxylic acid;3-Pyridinecarboxylic acid, 2-(4-fluorophenyl)-
Density: 1.319 g/cm3
Boiling Point: 354.249 °C at 760 mmHg
Flash Point: 168.044 °C
PSA: 50.19000
LogP: 2.58590
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Specification

The 3-Pyridinecarboxylic acid, 2-(4-fluorophenyl)-, with the CAS registry number 101419-78-7, is also named as 2-(4-fluorophenyl)pyridine-3-carboxylic acid.  Moreover, its molecular formula is C12H8FNO2 and its molecular weight is 217.1958.

Other characteristics of the 3-Pyridinecarboxylic acid, 2-(4-fluorophenyl)- can be summarised as followings: (1)ACD/LogP: 1.65; (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: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 50.19 Å2; (11)Index of Refraction: 1.594; (12)Molar Refractivity: 55.86 cm3; (13)Molar Volume: 164.681 cm3; (14)Polarizability: 22.145×10-24cm3; (15)Surface Tension: 52.854 dyne/cm; (16)Density: 1.319 g/cm3; (17)Flash Point: 168.044 °C; (18)Enthalpy of Vaporization: 63.236 kJ/mol; (19)Boiling Point: 354.249 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

Production method of the 3-Pyridinecarboxylic acid, 2-(4-fluorophenyl)-: It could be obtained by the reactant of 2-(4-fluorophenyl)-3-methylpyridine. This reaction needs the reagent of potassium permanganate, and the solvent of H2O. The yield is 60 %. In addition, this reaction should be taken for 105 minutes by heating.

the 3-Pyridinecarboxylic acid, 2-(4-fluorophenyl)- could be obtained by the reactant of 2-(4-fluorophenyl)-3-methylpyridine

You can still convert the following datas into molecular structure:  
1.SMILES: OC(=O)c2cccnc2c1ccc(F)cc1
2.InChI: InChI=1/C12H8FNO2/c13-9-5-3-8(4-6-9)11-10(12(15)16)2-1-7-14-11/h1-7H,(H,15,16)
3.InChIKey: ACGWDCZWNMSHNE-UHFFFAOYAK