Product Name

  • Name

    5-Iodo-3-(trifluoromethyl)-2(1H)-pyridinone

  • EINECS
  • CAS No. 887707-23-5
  • Article Data17
  • CAS DataBase
  • Density 2.112 g/cm3
  • Solubility
  • 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
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 887707-23-5 (5-Iodo-3-(trifluoromethyl)-2(1H)-pyridinone)
  • Hazard Symbols
  • Synonyms 5-iodo-3-(trifluoromethyl)-1H-pyridin-2-one
  • PSA 32.86000
  • LogP 1.99830

5-Iodo-3-(trifluoromethyl)pyridin-2-ol 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

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