Carbamic acid,N-(5-bromo-2-pyridinyl)-, 1,1-dimethylethyl ester (159451-66-8)

The 2-(Boc-amino)-5-bromopyridine with the CAS number 159451-66-8 is also called Carbamic acid,N-(5-bromo-2-pyridinyl)-, 1,1-dimethylethyl ester. The IUPAC name is tert-butyl N-(5-bromopyridin-2-yl)carbamate. Its molecular formula is C₁₀H₁₃BrN₂O₂. This chemical belongs to the following product categories: (1)pharmacetical; (2)Organohalides; (3)Pyridine; (4)C9 to C46Heterocyclic Building Blocks; (5)Halogenated Heterocycles; (6)Heterocyclic Building Blocks; (7)Pyridines.

The properties of the chemical are: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 98; (6)ACD/BCF (pH 7.4): 98; (7)ACD/KOC (pH 5.5): 929; (8)ACD/KOC (pH 7.4): 929; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 51.22 Å²; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 61.916 cm³; (15)Molar Volume: 187.856 cm³; (16)Polarizability: 24.545×10^-24cm³; (17)Surface Tension: 46.204 dyne/cm; (18)Enthalpy of Vaporization: 52.738 kJ/mol; (19)Vapour Pressure: 0.002 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is harmful if swallowed and may cause sensitization by skin contact. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)Nc1ccc(Br)cn1
(2)InChI: InChI=1/C10H13BrN2O2/c1-10(2,3)15-9(14)13-8-5-4-7(11)6-12-8/h4-6H,1-3H3,(H,12,13,14)
(3)InChIKey: CKXAMCSVTNPSCZ-UHFFFAOYAH