-
Name
2-Fluoro-6-methylpyridine-3-boronic acid
- EINECS
- CAS No. 906744-85-2
- Density 1.282 g/cm3
- Solubility
- Melting Point
- Formula C6H7BFNO2
- Boiling Point 308.381 °C at 760 mmHg
- Molecular Weight 154.93
- Flash Point 140.304 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms Boronicacid, (2-fluoro-6-methyl-3-pyridinyl)- (9CI);(2-Fluoro-6-methylpyridin-3-yl)boronic acid;
- PSA 53.35000
- LogP -0.79110
2-Fluoro-6-methylpyridine-3-boronic acid Specification
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
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