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| CAS No.: | 887707-23-5 |
|---|---|
| Name: | 5-Iodo-3-(trifluoromethyl)-2(1H)-pyridinone |
| Article Data: | 17 |
| Molecular Structure: | |
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| Formula: | C6H3F3INO |
| Molecular Weight: | 288.99400 |
| Synonyms: | 5-iodo-3-(trifluoromethyl)-1H-pyridin-2-one |
| Density: | 2.112 g/cm3 |
| Melting Point: | 145-147ºC |
| Boiling Point: | 249.186 °C at 760 mmHg |
| Flash Point: | 104.504 °C |
| PSA: | 32.86000 |
| LogP: | 1.99830 |
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Specification
The 5-Iodo-3-(trifluoromethyl)pyridin-2-ol is an organic compound with the formula C6H3F3INO. The systematic name of this chemical is 5-iodo-3-(trifluoromethyl)pyridin-2(1H)-one. With the CAS registry number 887707-23-5, it is also named as 2-pyridinol, 5-iodo-3-(trifluoromethyl)-.
The other characteristics of 5-Iodo-3-(trifluoromethyl)pyridin-2-ol can be summarized as: (1)ACD/LogP: 1.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 64; (8)ACD/KOC (pH 7.4): 48; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.1 Å2; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 44.205 cm3; (15)Molar Volume: 136.861 cm3; (16)Polarizability: 17.524×10-24 cm3; (17)Surface Tension: 38.68 dyne/cm; (18)Density: 2.112 g/cm3; (19)Flash Point: 104.504 °C; (20)Enthalpy of Vaporization: 48.641 kJ/mol; (21)Boiling Point: 249.186 °C at 760 mmHg; (22)Vapour Pressure: 0.023 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:FC(F)(F)C\1=C\C(\I)=C/NC/1=O
2. InChI:InChI=1/C6H3F3INO/c7-6(8,9)4-1-3(10)2-11-5(4)12/h1-2H,(H,11,12)
3. InChIKey:ACMILMILHHLANU-UHFFFAOYAH
4. Std. InChI:InChI=1S/C6H3F3INO/c7-6(8,9)4-1-3(10)2-11-5(4)12/h1-2H,(H,11,12)
5. Std. InChIKey:ACMILMILHHLANU-UHFFFAOYSA-N