Boronic acid,B-[5-[[(1,1-dimethylethyl)amino]carbonyl]-3-pyridinyl]- (913835-99-1)

The 5-(tert-Butylcarbamoyl)pyridine-3-boronic acid with the CAS number 913835-99-1 is also called Boronic acid,B-[5-[[(1,1-dimethylethyl)amino]carbonyl]-3-pyridinyl]-. The systematic name is [5-(tert-butylcarbamoyl)-3-pyridyl]boronic acid. Its molecular formula is C₁₀H₁₅BN₂O₃. This chemical belongs to the following product categories: (1)blocks; (2)BoronicAcids; (3)Pyridines. It is irritant. While using this chemical, you should be very cautious.

The properties of the chemical are: (1)ACD/LogP: 0.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.32 ; (4)#H bond acceptors: 5; (5)#H bond donors: 3; (6)#Freely Rotating Bonds: 5; (7)Polar Surface Area: 82.45 Å²; (8)Index of Refraction: 1.532; (9)Molar Refractivity: 58 cm³; (10)Molar Volume: 187 cm³; (11)Polarizability: 22.99×10^-24cm³; (12)Surface Tension: 49.2 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cc(cnc1)C(=O)NC(C)(C)C)(O)O
(2)InChI: InChI=1/C10H15BN2O3/c1-10(2,3)13-9(14)7-4-8(11(15)16)6-12-5-7/h4-6,15-16H,1-3H3,(H,13,14)
(3)InChIKey: FOJHBAIYLMKAIB-UHFFFAOYAR