Piperazine,1-(3-iodo-2-pyridinyl)- (85386-98-7)

The IUPAC name of this chemical is 1-(3-iodopyridin-2-yl)piperazine. With the CAS registry number 85386-98-7, it is also named as piperazine, 1-(3-iodo-2-pyridinyl)-. The product's categories are pharmacetical; halides; pyridines. It is white powder which is sensitive to moisture and light. In addition, 1-(3-Iodopyridin-2-yl)piperazine must be stored in sealed container.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.16; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 14; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.62; (11)Molar Refractivity: 60.804 cm³; (12)Molar Volume: 173.031 cm³; (13)Polarizability: 24.104×10^-24 cm³; (14)Surface Tension: 49.291 dyne/cm; (15)Enthalpy of Vaporization: 62.661 kJ/mol; (16)Vapour Pressure: 0 mmHg at 25°C; (17)Rotatable Bond Count: 1; (18)Exact Mass: 289.00759; (19)MonoIsotopic Mass: 289.00759; (20)Topological Polar Surface Area: 28.2; (21)Heavy Atom Count: 13; (22)Complexity: 159.

People can use the following data to convert to the molecule structure.
1. SMILES: c1cc(c(nc1)N2CCNCC2)I;
2. InChI: InChI=1/C9H12IN3/c10-8-2-1-3-12-9(8)13-6-4-11-5-7-13/h1-3,11H,4-7H2.