4-Fluoropyridin-2-ol supplier

Name
2-HYDROXY-4-FLUOROPYRIDINE
EINECS
CAS No. 96530-75-5
Article Data5
CAS DataBase
Density 1.26 g/cm³
Solubility
Melting Point
Formula C₅H₄FNO
Boiling Point 251.7 °C at 760mmHg
Molecular Weight 113.091
Flash Point 106 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms NSC 361063;
PSA 33.12000
LogP 0.92630

4-Fluoropyridin-2-ol Specification

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

Product Name

2-HYDROXY-4-FLUOROPYRIDINE

4-Fluoropyridin-2-ol Specification

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