The Pyridine,3-chloro-2-iodo-, with the CAS registry number 77332-89-9, has the systematic name of 3-chloro-2-iodopyridine. It belongs to the following product categories: Pharmacetical; Pyridine series; Amines; Pyridines. And the molecular formula of the chemical is C5H3ClIN.
The characteristics of Pyridine,3-chloro-2-iodo- are as followings: (1)ACD/LogP: 3.06; (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): 88; (6)ACD/BCF (pH 7.4): 88; (7)ACD/KOC (pH 5.5): 858; (8)ACD/KOC (pH 7.4): 858; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.642; (14)Molar Refractivity: 42.146 cm3; (15)Molar Volume: 116.681 cm3; (16)Polarizability: 16.708×10-24cm3; (17)Surface Tension: 51.716 dyne/cm; (18)Density: 2.052 g/cm3; (19)Flash Point: 101.973 °C; (20)Enthalpy of Vaporization: 46.255 kJ/mol; (21)Boiling Point: 245.001 °C at 760 mmHg; (22)Vapour Pressure: 0.046 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cccnc1I
(2)InChI: InChI=1/C5H3ClIN/c6-4-2-1-3-8-5(4)7/h1-3H
(3)InChIKey: LTCHVAFYGVXKHH-UHFFFAOYAS
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