Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Iodo-3-(trifluoromethyl)pyridin-2-ol |
EINECS | N/A |
CAS No. | 887707-23-5 | Density | 2.112 g/cm3 |
PSA | 32.86000 | LogP | 1.99830 |
Solubility | N/A | Melting Point |
145-147ºC |
Formula | C6H3F3INO | Boiling Point | 249.186 °C at 760 mmHg |
Molecular Weight | 288.99400 | Flash Point | 104.504 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-iodo-3-(trifluoromethyl)-1H-pyridin-2-one |
Article Data | 17 |
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