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3-Pyridinecarboxylic acid, 2-(4-fluorophenyl)-

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Name

3-Pyridinecarboxylic acid, 2-(4-fluorophenyl)-

EINECS N/A
CAS No. 101419-78-7 Density 1.319 g/cm3
PSA 50.19000 LogP 2.58590
Solubility N/A Melting Point N/A
Formula C12H8FNO2 Boiling Point 354.249 °C at 760 mmHg
Molecular Weight 217.199 Flash Point 168.044 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 101419-78-7 (2-(4-Fluorophenyl)nicotinic acid) Hazard Symbols N/A
Synonyms

2-(4-fluorophenyl)pyridine-3-carboxylic acid;3-Pyridinecarboxylic acid, 2-(4-fluorophenyl)-

Article Data 2

3-Pyridinecarboxylic acid, 2-(4-fluorophenyl)- 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

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