3-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridin-2-one

C13H7F6NO2 — CID 133091691

IUPAC3-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)(F)F)ccc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H7F6NO2/c14-12(15,16)10-6-5-8(11(21)20-10)7-3-1-2-4-9(7)22-13(17,18)19/h1-6H,(H,20,21)
InChIKeyGDENUNLTJURZJU-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.96
Rot. Bonds2

About 3-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridin-2-one

3-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 133091691) has the molecular formula C13H7F6NO2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 3-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID133091691
Molecular FormulaC13H7F6NO2
Molecular Weight323.19 g/mol
Exact Mass323.04
IUPAC Name3-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)(F)F)ccc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H7F6NO2/c14-12(15,16)10-6-5-8(11(21)20-10)7-3-1-2-4-9(7)22-13(17,18)19/h1-6H,(H,20,21)
InChIKeyGDENUNLTJURZJU-UHFFFAOYSA-N
XLogP3.96
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridin-2-one (CID 133091691) is 3-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]c(C(F)(F)F)ccc1-c1ccccc1OC(F)(F)F.
What is the InChIKey of 3-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is GDENUNLTJURZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F6NO2/c14-12(15,16)10-6-5-8(11(21)20-10)7-3-1-2-4-9(7)22-13(17,18)19/h1-6H,(H,20,21).
What are the key properties of 3-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
3-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 323.19 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 133091691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).