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CAS No.: | 96530-75-5 |
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Name: | 2-HYDROXY-4-FLUOROPYRIDINE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C5H4FNO |
Molecular Weight: | 113.091 |
Synonyms: | NSC 361063; |
Density: | 1.26 g/cm3 |
Boiling Point: | 251.7 °C at 760mmHg |
Flash Point: | 106 °C |
PSA: | 33.12000 |
LogP: | 0.92630 |
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The 2(1H)-Pyridinone,4-fluoro- is an organic compound with the formula C5H4FNO. The IUPAC name of this chemical is 4-fluoro-1H-pyridin-2-one. With the CAS registry number 96530-75-5, it is also named as 4-Fluoropyridin-2-ol. The product's category is Pyridines.
The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.65; (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): 2.28; (6)ACD/KOC (pH 7.4): 2.22; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 0; (10)Index of Refraction: 1.508; (11)Molar Refractivity: 26.62 cm3; (12)Molar Volume: 89.2 cm3; (13)Polarizability: 10.55×10-24 cm3; (14)Surface Tension: 33.4 dyne/cm; (15)Enthalpy of Vaporization: 48.9 kJ/mol; (16)Vapour Pressure: 0.0202 mmHg at 25°C; (17)Tautomer Count: 2; (18)Exact Mass: 113.027692; (19)MonoIsotopic Mass: 113.027692; (20)Topological Polar Surface Area: 29.1; (21)Heavy Atom Count: 8; (22)Complexity: 171.
Preparation of 2(1H)-Pyridinone,4-fluoro-: It can be obtained by 4-fluoro-2-methoxypyridine. This reaction needs reagent iodotrimethylsilane and solvent CH2Cl2. The yield is 69%.
People can use the following data to convert to the molecule structure.
1. SMILES:FC=1\C=C/NC(=O)C=1
2. InChI:InChI=1/C5H4FNO/c6-4-1-2-7-5(8)3-4/h1-3H,(H,7,8)
3. InChIKey:XSRUCRGHYLPMHK-UHFFFAOYAU
4. Std. InChI:InChI=1S/C5H4FNO/c6-4-1-2-7-5(8)3-4/h1-3H,(H,7,8)
5. Std. InChIKey:XSRUCRGHYLPMHK-UHFFFAOYSA-N