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CAS No.: | 51173-04-7 |
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Name: | 2-Methoxy-5-fluoropyridine |
Molecular Structure: | |
Formula: | C6H6FNO |
Molecular Weight: | 127.118 |
Synonyms: | 5-Fluoro-2-methoxypyridine; |
Density: | 1.146 g/cm3 |
Boiling Point: | 144.8 °C at 760 mmHg |
Flash Point: | 41.4 °C |
Hazard Symbols: | Xi,T |
PSA: | 22.12000 |
LogP: | 1.22930 |
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The 2-Methoxy-5-fluoropyridine is an organic compound with the formula C6H6FNO. The IUPAC name of this chemical is 5-fluoro-2-methoxypyridine. With the CAS registry number 51173-04-7, it is also named as Pyridine, 5-fluoro-2-methoxy-. The product's categories are Pyridine; Boronic Acid; Fluorinated Heterocyclic Series. In addition, the molecular weight is 127.12.
The other characteristics of 2-Methoxy-5-fluoropyridine can be summarized as: (1)ACD/LogP: 1.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.44; (4)ACD/LogD (pH 7.4): 1.44; (5)ACD/BCF (pH 5.5): 7.32; (6)ACD/BCF (pH 7.4): 7.32; (7)ACD/KOC (pH 5.5): 144.65; (8)ACD/KOC (pH 7.4): 144.65; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.471; (14)Molar Refractivity: 31.01 cm3; (15)Molar Volume: 110.8 cm3; (16)Polarizability: 12.29×10-24 cm3; (17)Surface Tension: 32.7 dyne/cm; (18)Density: 1.146 g/cm3; (19)Flash Point: 41.4 °C; (20)Enthalpy of Vaporization: 36.61 kJ/mol; (21)Boiling Point: 144.8 °C at 760 mmHg; (22)Vapour Pressure: 6.31 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:Fc1cnc(OC)cc1
2. InChI:InChI=1/C6H6FNO/c1-9-6-3-2-5(7)4-8-6/h2-4H,1H3
3. InChIKey:GYGABXVZIHADCT-UHFFFAOYAY
4. Std. InChI:InChI=1S/C6H6FNO/c1-9-6-3-2-5(7)4-8-6/h2-4H,1H3
5. Std. InChIKey:GYGABXVZIHADCT-UHFFFAOYSA-N