2-Pyridinamine,5-bromo-4-chloro-3-nitro- (942947-95-7)

The 2-Amino-5-bromo-4-chloro-3-nitropyridine with the CAS number 942947-95-7 is also called 2-Pyridinamine,5-bromo-4-chloro-3-nitro-. Both the systematic name and IUPAC name are 5-bromo-4-chloro-3-nitropyridin-2-amine. Its molecular formula is C₅H₃BrClN₃O₂. The product category is API intermediates.

The properties of the chemical are: (1)ACD/LogP: 3.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.135; (4)ACD/LogD (pH 7.4): 3.135; (5)ACD/BCF (pH 5.5): 142.218; (6)ACD/BCF (pH 7.4): 142.218; (7)ACD/KOC (pH 5.5): 1209.742; (8)ACD/KOC (pH 7.4): 1209.742; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 84.73 Å²; (13)Index of Refraction: 1.689; (14)Molar Refractivity: 47.711 cm³; (15)Molar Volume: 124.914 cm³; (16)Polarizability: 18.914×10^-24cm³; (17)Surface Tension: 76.232 dyne/cm; (18)Enthalpy of Vaporization: 58.172 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(c(c(c(n1)N)N(=O)=O)Cl)Br
(2)InChI: InChI=1/C5H3BrClN3O2/c6-2-1-9-5(8)4(3(2)7)10(11)12/h1H,(H2,8,9)
(3)InChIKey: BLGCPXIDEMLKMS-UHFFFAOYAP