2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1H-pyridin-4-one

C13H7F6NO2 — CID 133091724

IUPAC2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(-c2ccccc2OC(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C13H7F6NO2/c14-12(15,16)10-8(21)5-6-20-11(10)7-3-1-2-4-9(7)22-13(17,18)19/h1-6H,(H,20,21)
InChIKeyXIMANSXGGLVPTQ-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.96
Rot. Bonds2

About 2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1H-pyridin-4-one

2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 133091724) has the molecular formula C13H7F6NO2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID133091724
Molecular FormulaC13H7F6NO2
Molecular Weight323.19 g/mol
Exact Mass323.04
IUPAC Name2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(-c2ccccc2OC(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C13H7F6NO2/c14-12(15,16)10-8(21)5-6-20-11(10)7-3-1-2-4-9(7)22-13(17,18)19/h1-6H,(H,20,21)
InChIKeyXIMANSXGGLVPTQ-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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Related Compounds

3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-1H-pyridin-4-one
CID 133092058
2-methyl-3-[2-(trifluoromethoxy)phenyl]-1H-pyridin-4-one
CID 133091499
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one
CID 133091420
2-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one
CID 133092470
3-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 133091691
5-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one
CID 133091706
1-(trifluoromethoxy)-2-[2-(trifluoromethyl)phenyl]benzene
CID 91059190
2-[2-(trifluoromethoxy)phenyl]-1H-quinolin-4-one
CID 169257027
5-amino-6-[2-(trifluoromethoxy)phenyl]-1,3-dihydrobenzimidazol-2-one
CID 16768729
3-amino-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 130089031
6-methyl-3-[2-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
CID 133091598

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1H-pyridin-4-one (CID 133091724) is 2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1H-pyridin-4-one is O=c1cc[nH]c(-c2ccccc2OC(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is XIMANSXGGLVPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F6NO2/c14-12(15,16)10-8(21)5-6-20-11(10)7-3-1-2-4-9(7)22-13(17,18)19/h1-6H,(H,20,21).
What are the key properties of 2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1H-pyridin-4-one?
2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1H-pyridin-4-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 2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 133091724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).