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CAS No.: | 851386-43-1 |
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Name: | 2,5-Difluoropyridine-3-carboxylic acid |
Molecular Structure: | |
Formula: | C6H3F2NO2 |
Molecular Weight: | 159.0903 |
Synonyms: | 2,5-Difluoronicotinic acid; |
Density: | 1.535 g/cm3 |
Melting Point: | 90-92 °C(Solv: chloroform (67-66-3)) |
Boiling Point: | 277.4 °C at 760 mmHg |
Flash Point: | 121.6 °C |
PSA: | 50.19000 |
LogP: | 1.05800 |
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The 3-Pyridinecarboxylicacid, 2,5-difluoro-, with the CAS registry number 851386-43-1, is also known as 2,5-Difluoronicotinic acid. This chemical's molecular formula is C6H3F2NO2 and molecular weight is 159.0903. What's more, its systematic name is called 2,5-Difluoropyridine-3-carboxylic acid.
Physical properties about 3-Pyridinecarboxylicacid, 2,5-difluoro- are: (1)ACD/LogP: 0.50; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 39.19 Å2; (7)Index of Refraction: 1.515; (8)Molar Refractivity: 31.26 cm3; (9)Molar Volume: 103.6 cm3; (10)Polarizability: 12.39×10-24 cm3 ; (11)Surface Tension: 51.6 dyne/cm; (12)Density: 1.535 g/cm3; (13)Flash Point: 121.6 °C; (14)Enthalpy of Vaporization: 54.5 kJ/mol; (15)Boiling Point: 277.4 °C at 760 mmHg; (16)Vapour Pressure: 0.00218 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1cc(F)cnc1F
(2) InChI: InChI=1/C6H3F2NO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2H,(H,10,11)
(3) InChIKey: NEDDADJKOLQIJZ-UHFFFAOYAD