Skip Navigation Links
ScientificNameLabel
Fonenol
PHCD compound ID : 4557
Chemical Names :
Fonenol
Molecular Formula : C13H9F3N2O2
Molecular Weight : 282.061612
More Details :
Names & Synonyms: 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid , 2-[3-(trifluoromethyl)anilino]-3-pyridinecarboxylic acid , 2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylic acid , 2-[3-(trifluoromethyl)anilino]nicotinic acid
Smiles: OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F
InChi : InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)
InChi Key : InChIKey=JZFPYUNJRRFVQU-UHFFFAOYSA-N
PubChem ID : 4488
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.041144
Hydrogen bond donor count : 2 Electric dipole moment : 3.918
XLogP : 1.615 VDW volume : 226.212781
Molecular weight : 282.061612 HOMO-LUMO gap : 7.868000
Herb list :
Refrences & Litretures:
  
697.      Journal:'Rec. Nat. Prod'      Year:'2009'      Volume:'3'      Page:'90'      DOI:''      Title:'Chemical Composition of the Essential Oil of Pistacia lentiscus L. from Eastern Morocco'
897.      Journal:'Journal of Medicinal Plants and By-products'      Year:'2016'      Volume:'2'      Page:'159'      DOI:''      Title:'Essential Oils of Salvia hydrangea DC. ex Benth. from Kiasar-Hezarjarib regions, Iran-Impact of eEnvironmental Factors as Quality Determinants'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us