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

C6H3F4NO2 — CID 90752796

IUPAC3-fluoro-5-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cc(OC(F)(F)F)cc1F
InChIInChI=1S/C6H3F4NO2/c7-4-1-3(2-11-5(4)12)13-6(8,9)10/h1-2H,(H,11,12)
InChIKeyIXNNHXFQXFNAEK-UHFFFAOYSA-N
MW197.09 g/mol
LogP1.41
Rot. Bonds1

About 3-fluoro-5-(trifluoromethoxy)-1H-pyridin-2-one

3-fluoro-5-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 90752796) has the molecular formula C6H3F4NO2 and a molecular weight of 197.09 g/mol. Its IUPAC name is 3-fluoro-5-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-fluoro-5-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID90752796
Molecular FormulaC6H3F4NO2
Molecular Weight197.09 g/mol
Exact Mass197.01
IUPAC Name3-fluoro-5-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cc(OC(F)(F)F)cc1F
InChIInChI=1S/C6H3F4NO2/c7-4-1-3(2-11-5(4)12)13-6(8,9)10/h1-2H,(H,11,12)
InChIKeyIXNNHXFQXFNAEK-UHFFFAOYSA-N
XLogP1.41
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.09
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 3-fluoro-5-(trifluoromethoxy)-1H-pyridin-2-one (CID 90752796) is 3-fluoro-5-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 3-fluoro-5-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 3-fluoro-5-(trifluoromethoxy)-1H-pyridin-2-one is O=c1[nH]cc(OC(F)(F)F)cc1F.
What is the InChIKey of 3-fluoro-5-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is IXNNHXFQXFNAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F4NO2/c7-4-1-3(2-11-5(4)12)13-6(8,9)10/h1-2H,(H,11,12).
What are the key properties of 3-fluoro-5-(trifluoromethoxy)-1H-pyridin-2-one?
3-fluoro-5-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 197.09 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 90752796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).