Name: 2,6-DIMETHYL-PYRIDINE-3-BORONIC ACID
SKU: 693774-55-9

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Basic Information

Molecular Structure:
CAS No.:	693774-55-9
Name:	2,6-DIMETHYL-PYRIDINE-3-BORONIC ACID

Formula:	C₇H₁₀BNO₂
Molecular Weight:	150.973
Synonyms:	Boronic acid,(2,6-dimethyl-3-pyridinyl)- (9CI);(2,6-Dimethyl-3-pyridinyl)boronic acid;(2,6-Dimethylpyridin-3-yl)boronic acid;2,6-Dimethylpyridine-3-boronic acid;
Density:	1.14 g/cm³
Boiling Point:	295.8 °C at 760 mmHg
Flash Point:	132.7 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	53.35000
LogP:	-0.62180

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Specification

The CAS registry number of Boronic acid,B-(2,6-dimethyl-3-pyridinyl)- is 693774-55-9. It also can be called as 2,6-Dimethylpyridine-3-boronic acid. The IUPAC name is (2,6-dimethylpyridin-3-yl)boronic acid. In addition, the molecular formula is C₇H₁₀BNO₂ and the molecular weight is 150.97. It belongs to the class of the Pyridines.

Physical properties about Boronic acid,B-(2,6-dimethyl-3-pyridinyl)- are: (1)ACD/LogP: 1.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.75; (4)ACD/LogD (pH 7.4): -0.05; (5)ACD/BCF (pH 5.5): 1.87; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 45.6; (8)ACD/KOC (pH 7.4): 7.36; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 31.35 Å²; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 40.33 cm³; (15)Molar Volume: 132.1 cm³; (16)Polarizability: 15.98 ×10^-24cm³; (17)Surface Tension: 45.8 dyne/cm; (18)Density: 1.14 g/cm³; (19)Flash Point: 132.7 °C; (20)Enthalpy of Vaporization: 56.55 kJ/mol; (21)Boiling Point: 295.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000675 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c1ccc(nc1C)C
(2)InChI: InChI=1/C7H10BNO2/c1-5-3-4-7(8(10)11)6(2)9-5/h3-4,10-11H,1-2H3
(3)InChIKey: OZGKXVIJOMDZCP-UHFFFAOYAQ