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Name |
2-Fluoro-6-methylpyridine-3-boronic acid |
EINECS | N/A |
CAS No. | 906744-85-2 | Density | 1.282 g/cm3 |
PSA | 53.35000 | LogP | -0.79110 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H7BFNO2 | Boiling Point | 308.381 °C at 760 mmHg |
Molecular Weight | 154.93 | Flash Point | 140.304 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Boronicacid, (2-fluoro-6-methyl-3-pyridinyl)- (9CI);(2-Fluoro-6-methylpyridin-3-yl)boronic acid; |
The 2-Fluoro-6-methylpyridine-3-boronic acid, with the CAS registry number 906744-85-2, is also known as Boronic acid, B-(2-fluoro-6-methyl-3-pyridinyl)-. It belongs to the product categories of Boronic Acids & Esters; Pyridines. This chemical's molecular formula is C6H7BFNO2 and molecular weight is 154.93. What's more, its systematic name is called (2-Fluoro-6-methyl-3-pyridinyl)boronic acid.
Physical properties about 2-Fluoro-6-methylpyridine-3-boronic acid are: (1)ACD/LogP: 0.524; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.43; (4)ACD/LogD (pH 7.4): -0.78; (5)ACD/BCF (pH 5.5): 1.19; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 36.97; (8)ACD/KOC (pH 7.4): 2.27; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 53.35 Å2; (13)Index of Refraction: 1.504; (14)Molar Refractivity: 35.823 cm3; (15)Molar Volume: 120.893 cm3; (16)Polarizability: 14.201×10-24cm3; (17)Surface Tension: 44.866 dyne/cm; (18)Density: 1.282 g/cm3; (19)Flash Point: 140.304 °C; (20)Enthalpy of Vaporization: 57.973 kJ/mol; (21)Boiling Point: 308.381 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1nc(ccc1B(O)O)C
(2) InChI: InChI=1S/C6H7BFNO2/c1-4-2-3-5(7(10)11)6(8)9-4/h2-3,10-11H,1H3
(3) InChIKey: QIIKPLRESDHKTN-UHFFFAOYSA-N