2-Pyridinamine,3-bromo-5-nitro- (15862-31-4)

The 2-Amino-3-bromo-5-nitropyridine with cas registry number of 15862-31-4 belongs to the categories in Amines; blocks; Bromides; Pyridines; Pyridine; Boronic Acid; Amino-pyridine series. It has an appearance of beige to orange-brown powder. Its systematic name is called 3-bromo-5-nitropyridin-2-amine. And IUPAC name is known as 3-bromo-5-nitropyridin-1-ium-2-amine.

Physical properties about this chemical are: (1)ACD/LogP: 2.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.49; (4)ACD/LogD (pH 7.4): 2.49; (5)ACD/BCF (pH 5.5): 46.3; (6)ACD/BCF (pH 7.4): 46.3; (7)ACD/KOC (pH 5.5): 541.78; (8)ACD/KOC (pH 7.4): 541.79; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.682; (13)Molar Refractivity: 42.81 cm³; (14)Molar Volume: 112.9 cm³; (15)Surface Tension: 75.7 dyne/cm; (16)Density: 1.929 g/cm³; (17)Flash Point: 163.8 °C; (18)Enthalpy of Vaporization: 59.15 kJ/mol; (19)Boiling Point: 347.3 °C at 760 mmHg; (20)Vapour Pressure: 5.45E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to the eyes, skin and the respiratory system. Wear suitable protective clothing, gloves, eye/face protection during using it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc([N+]([O-])=O)cnc1N;
(2)InChI: InChI=1/C5H4BrN3O2/c6-4-1-3(9(10)11)2-8-5(4)7/h1-2H,(H2,7,8);
(3)InChIKey: OFXNHXMPRZDIDM-UHFFFAOYAZ