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CAS No.: | 186593-48-6 |
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Name: | 2-Fluoro-3-methyl-5-aminopyridine |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C6H7FN2 |
Molecular Weight: | 126.13 |
Synonyms: | 3-Amino-6-fluoro-5-methylpyridine;5-Amino-2-fluoro-3-methylpyridine;6-Fluoro-5-methylpyridin-3-amine; |
Density: | 1.196 g/cm3 |
Boiling Point: | 275.545 °C at 760 mmHg |
Flash Point: | 120.445 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36-37-38 |
Safety: | 26 |
PSA: | 38.91000 |
LogP: | 1.69250 |
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The 5-Amino-2-fluoro-3-picoline with CAS registry number of 186593-48-6 is also called 3-Pyridinamine,6-fluoro-5-methyl. The IUPAC name is 6-fluoro-5-methylpyridin-3-amine. In addition, the molecular formula is C6H7FN2 and the molecular weight is 126.13. It belongs to the classes of Halide; Amineprimary; Pyridine; Pyridines; Boronic Acid.
Physical properties about 5-Amino-2-fluoro-3-picoline are: (1)ACD/LogP: 0.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 58; (8)ACD/KOC (pH 7.4): 58; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.91 Å2; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 33.399 cm3; (15)Molar Volume: 105.422 cm3; (16)Polarizability: 13.24 ×10-24cm3; (17)Surface Tension: 44.331 dyne/cm; (18)Density: 1.196 g/cm3; (19)Flash Point: 120.445 °C; (20)Enthalpy of Vaporization: 51.4 kJ/mol; (21)Boiling Point: 275.545 °C at 760 mmHg; (22)Vapour Pressure: 0.005 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Nc1cnc(F)c(C)c1
(2)InChI: InChI=1/C6H7FN2/c1-4-2-5(8)3-9-6(4)7/h2-3H,8H2,1H3
(3)InChIKey: KADQKKYTJHXBSL-UHFFFAOYAI