2-(trifluoromethoxy)-1H-pyridin-4-one

C6H4F3NO2 — CID 130088835

IUPAC2-(trifluoromethoxy)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(OC(F)(F)F)c1
InChIInChI=1S/C6H4F3NO2/c7-6(8,9)12-5-3-4(11)1-2-10-5/h1-3H,(H,10,11)
InChIKeyGINSPHNXUOOLFN-UHFFFAOYSA-N
MW179.10 g/mol
LogP1.27
Rot. Bonds1

About 2-(trifluoromethoxy)-1H-pyridin-4-one

2-(trifluoromethoxy)-1H-pyridin-4-one (PubChem CID 130088835) has the molecular formula C6H4F3NO2 and a molecular weight of 179.10 g/mol. Its IUPAC name is 2-(trifluoromethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(trifluoromethoxy)-1H-pyridin-4-one
PubChem CID130088835
Molecular FormulaC6H4F3NO2
Molecular Weight179.10 g/mol
Exact Mass179.02
IUPAC Name2-(trifluoromethoxy)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(OC(F)(F)F)c1
InChIInChI=1S/C6H4F3NO2/c7-6(8,9)12-5-3-4(11)1-2-10-5/h1-3H,(H,10,11)
InChIKeyGINSPHNXUOOLFN-UHFFFAOYSA-N
XLogP1.27
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.10
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(trifluoromethoxy)phenyl]-1H-pyridin-4-one
CID 53229611
3-hydroxy-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 118991199
3-amino-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 130089031
4-oxo-6-(trifluoromethoxy)-1H-pyridine-2-carbonitrile
CID 119022304
3-chloro-2-(trifluoromethoxy)-1H-pyridin-4-one
CID 130089679
2-methyl-3-[2-(trifluoromethoxy)phenyl]-1H-pyridin-4-one
CID 133091499
5-fluoro-6-(trifluoromethoxy)-1H-indole
CID 142439900
3-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 134658855
3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 130092905
2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1H-pyridin-4-one
CID 133091724
4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 130092712
3,4-dimethyl-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 131168157

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxy)-1H-pyridin-4-one?
The IUPAC name of 2-(trifluoromethoxy)-1H-pyridin-4-one (CID 130088835) is 2-(trifluoromethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 2-(trifluoromethoxy)-1H-pyridin-4-one?
The canonical SMILES for 2-(trifluoromethoxy)-1H-pyridin-4-one is O=c1cc[nH]c(OC(F)(F)F)c1.
What is the InChIKey of 2-(trifluoromethoxy)-1H-pyridin-4-one?
The InChIKey is GINSPHNXUOOLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO2/c7-6(8,9)12-5-3-4(11)1-2-10-5/h1-3H,(H,10,11).
What are the key properties of 2-(trifluoromethoxy)-1H-pyridin-4-one?
2-(trifluoromethoxy)-1H-pyridin-4-one has a molecular weight of 179.10 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 130088835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).