2-Chloro-4-methylpyridine-5-boronic acid

The 2-Chloro-4-methylpyridine-5-boronic acid, with the CAS registry number 913836-08-5, is also known as (6-Chloro-4-methyl-3-pyridinyl)boronic acid. It belongs to the product categories of Blocks; Boronic Acids; Pyridines; Organoborons; Pyridine; Boronic Acid; Pyridine Series. This chemical's molecular formula is C₆H₇BClNO₂ and molecular weight is 171.39. What's more, its IUPAC name is called (6-Chloro-4-methylpyridin-3-yl)boronic acid. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 2-Chloro-4-methylpyridine-5-boronic acid are: (1)ACD/LogP: 1.228; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.09; (4)ACD/LogD (pH 7.4): -0.28; (5)ACD/BCF (pH 5.5): 3.64; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 79.84; (8)ACD/KOC (pH 7.4): 3.48; (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: 1.55; (14)Molar Refractivity: 40.538 cm³; (15)Molar Volume: 127.242 cm³; (16)Polarizability: 16.07×10^-24 cm³; (17)Surface Tension: 52.60 dyne/cm; (18)Density: 1.347 g/cm³; (19)Flash Point: 171.02 °C; (20)Enthalpy of Vaporization: 63.809 kJ/mol; (21)Boiling Point: 359.17 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: B(c1cnc(cc1C)Cl)(O)O
(2) InChI: InChI=1S/C6H7BClNO2/c1-4-2-6(8)9-3-5(4)7(10)11/h2-3,10-11H,1H3
(3) InChIKey: HMDMMWUUIMJRAQ-UHFFFAOYSA-N