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| CAS No.: | 171178-43-1 |
|---|---|
| Name: | 5-AMINO-2-FLUORO-ISONICOTINIC ACID |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C6H5FN2O2 |
| Molecular Weight: | 156.11 |
| Synonyms: | 5-Amino-2-fluoroisonicotinicacid; |
| Density: | 1.535 g/cm3 |
| Boiling Point: | 514.394 °C at 760 mmHg |
| Flash Point: | 264.896 °C |
| PSA: | 76.21000 |
| LogP: | 1.08230 |
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Specification
The 5-Amino-2-fluoro-isonicotinic acid, with CAS registry number 171178-43-1, belongs to the following product categories: (1)Carboxylicacid; (2)Halide; (3)Pharmacetical; (4)Pyridine; (5)Pyridines. It has the systematic name of 5-amino-2-fluoro-pyridine-4-carboxylic acid. And the chemical formula of this chemical is C6H5FN2O2.
Physical properties of 5-Amino-2-fluoro-isonicotinic acid: (1)ACD/LogP: 0.61; (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): 1.919; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 76.21 Å2; (11)Index of Refraction: 1.615; (12)Molar Refractivity: 35.504 cm3; (13)Molar Volume: 101.677 cm3; (14)Polarizability: 14.075×10-24cm3; (15)Surface Tension: 72.32 dyne/cm; (16)Enthalpy of Vaporization: 82.757 kJ/mol; (17)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c(c(cnc1F)N)C(=O)O
(2)InChI: InChI=1/C6H5FN2O2/c7-5-1-3(6(10)11)4(8)2-9-5/h1-2H,8H2,(H,10,11)
(3)InChIKey: DKYUCRYPZALEMP-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C6H5FN2O2/c7-5-1-3(6(10)11)4(8)2-9-5/h1-2H,8H2,(H,10,11)
(5)Std. InChIKey: DKYUCRYPZALEMP-UHFFFAOYSA-N