3,5-difluoro-4-(trifluoromethyl)-1H-pyridin-2-one

C6H2F5NO — CID 90765824

IUPAC3,5-difluoro-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(F)c(C(F)(F)F)c1F
InChIInChI=1S/C6H2F5NO/c7-2-1-12-5(13)4(8)3(2)6(9,10)11/h1H,(H,12,13)
InChIKeyKJJHNIYHOVYOAG-UHFFFAOYSA-N
MW199.08 g/mol
LogP1.67
Rot. Bonds

About 3,5-difluoro-4-(trifluoromethyl)-1H-pyridin-2-one

3,5-difluoro-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 90765824) has the molecular formula C6H2F5NO and a molecular weight of 199.08 g/mol. Its IUPAC name is 3,5-difluoro-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3,5-difluoro-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID90765824
Molecular FormulaC6H2F5NO
Molecular Weight199.08 g/mol
Exact Mass199.01
IUPAC Name3,5-difluoro-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(F)c(C(F)(F)F)c1F
InChIInChI=1S/C6H2F5NO/c7-2-1-12-5(13)4(8)3(2)6(9,10)11/h1H,(H,12,13)
InChIKeyKJJHNIYHOVYOAG-UHFFFAOYSA-N
XLogP1.67
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.08
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3,5-difluoro-4-(trifluoromethyl)-1H-pyridin-2-one (CID 90765824) is 3,5-difluoro-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3,5-difluoro-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3,5-difluoro-4-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]cc(F)c(C(F)(F)F)c1F.
What is the InChIKey of 3,5-difluoro-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is KJJHNIYHOVYOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F5NO/c7-2-1-12-5(13)4(8)3(2)6(9,10)11/h1H,(H,12,13).
What are the key properties of 3,5-difluoro-4-(trifluoromethyl)-1H-pyridin-2-one?
3,5-difluoro-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 199.08 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 90765824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).