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

C6H4F3NO2 — CID 91256805

IUPAC5-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1ccc(OC(F)(F)F)c[nH]1
InChIInChI=1S/C6H4F3NO2/c7-6(8,9)12-4-1-2-5(11)10-3-4/h1-3H,(H,10,11)
InChIKeyZCEMHHMTDMCTPA-UHFFFAOYSA-N
MW179.10 g/mol
LogP1.27
Rot. Bonds1

About 5-(trifluoromethoxy)-1H-pyridin-2-one

5-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 91256805) has the molecular formula C6H4F3NO2 and a molecular weight of 179.10 g/mol. Its IUPAC name is 5-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID91256805
Molecular FormulaC6H4F3NO2
Molecular Weight179.10 g/mol
Exact Mass179.02
IUPAC Name5-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1ccc(OC(F)(F)F)c[nH]1
InChIInChI=1S/C6H4F3NO2/c7-6(8,9)12-4-1-2-5(11)10-3-4/h1-3H,(H,10,11)
InChIKeyZCEMHHMTDMCTPA-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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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 5-(trifluoromethoxy)-1H-pyridin-2-one (CID 91256805) is 5-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 5-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 5-(trifluoromethoxy)-1H-pyridin-2-one is O=c1ccc(OC(F)(F)F)c[nH]1.
What is the InChIKey of 5-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is ZCEMHHMTDMCTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO2/c7-6(8,9)12-4-1-2-5(11)10-3-4/h1-3H,(H,10,11).
What are the key properties of 5-(trifluoromethoxy)-1H-pyridin-2-one?
5-(trifluoromethoxy)-1H-pyridin-2-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 5-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 91256805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).