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CAS No.: | 205240-59-1 |
---|---|
Name: | 2-Chloro-3-iodo-6-(trifluoromethyl)pyridine |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C6H2ClF3IN |
Molecular Weight: | 307.441 |
Synonyms: | 2-Chloro-3-iodo-6-(trifluoromethyl)pyridine; |
Density: | 2.046 g/cm3 |
Boiling Point: | 232.6 °C at 760 mmHg |
Flash Point: | 94.4 °C |
PSA: | 12.89000 |
LogP: | 3.35840 |
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The systematic name of 2-Chloro-3-iodo-6-(trifluoromethyl)pyridine is 2-chloro-3-iodo-6-(trifluoromethyl)pyridine. With the CAS registry number 205240-59-1, it is also named as Pyridine, 2-chloro-3-iodo-6-(trifluoromethyl)-. In addition, its molecular formula is C6H2ClF3IN and molecular weight is 307.4395.
The other characteristics of 2-Chloro-3-iodo-6-(trifluoromethyl)pyridine can be summarized as: (1)ACD/LogP: 3.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.89; (4)ACD/LogD (pH 7.4): 3.89; (5)ACD/BCF (pH 5.5): 537.04; (6)ACD/BCF (pH 7.4): 537.04; (7)ACD/KOC (pH 5.5): 3131.44; (8)ACD/KOC (pH 7.4): 3131.44; (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: 1.54; (14)Molar Refractivity: 47.12 cm3; (15)Molar Volume: 150.1 cm3; (16)Polarizability: 18.68×10-24cm3; (17)Surface Tension: 36.8 dyne/cm; (18)Density: 2.046 g/cm3; (19)Flash Point: 94.4 °C; (20)Enthalpy of Vaporization: 45.02 kJ/mol; (21)Boiling Point: 232.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0892 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: Ic1ccc(nc1Cl)C(F)(F)F
(2)InChI: InChI=1/C6H2ClF3IN/c7-5-3(11)1-2-4(12-5)6(8,9)10/h1-2H
(3)InChIKey: OQDHZJUOSNEOQF-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C6H2ClF3IN/c7-5-3(11)1-2-4(12-5)6(8,9)10/h1-2H
(5)Std. InChIKey: OQDHZJUOSNEOQF-UHFFFAOYSA-N