4-Pyridinecarboxylicacid, 2-amino-5-bromo-, methyl ester (882499-87-8)

The Methyl 2-amino-5-bromoisonicotinate, with its CAS registry number 882499-87-8, has the systematic name of methyl 2-amino-5-bromo-pyridine-4-carboxylate. And its product categories are inclding blocks; Bromides; Carboxes; Pyridines. When using this chemical, you should be careful, because it may cause inflammation to the skin or other mucous membranes.

The characteristics of Methyl 2-amino-5-bromoisonicotinate are as follows: (1)ACD/LogP: 1.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.82; (4)ACD/LogD (pH 7.4): 1.82; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 65.21 ; (9)Index of Refraction: 1.607; (10)Molar Refractivity: 48.04 cm³; (11)Molar Volume: 139 cm³; (12)Polarizability: 19.04×10^-24 cm³; (13)Surface Tension: 57.3 dyne/cm; (14)Density: 1.662 g/cm³; (15)Flash Point: 142.2 °C; (16)Enthalpy of Vaporization: 55.24 kJ/mol; (17)Boiling Point: 311.5 °C at 760 mmHg; (18)Vapour Pressure: 0.000562 mmHg at 25°C.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:COC(=O)c1cc(ncc1Br)N
(2)InChI:InChI=1/C7H7BrN2O2/c1-12-7(11)4-2-6(9)10-3-5(4)8/h2-3H,1H3,(H2,9,10)
(3)InChIKey:FJPDYKLTAURVRU-UHFFFAOYAE