3-fluoro-5-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one

C12H7F4NO2 — CID 133091567

IUPAC3-fluoro-5-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
SMILESO=c1[nH]cc(-c2ccc(OC(F)(F)F)cc2)cc1F
InChIInChI=1S/C12H7F4NO2/c13-10-5-8(6-17-11(10)18)7-1-3-9(4-2-7)19-12(14,15)16/h1-6H,(H,17,18)
InChIKeySIGPXIWVJDSOOV-UHFFFAOYSA-N
MW273.19 g/mol
LogP3.08
Rot. Bonds2

About 3-fluoro-5-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one

3-fluoro-5-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one (PubChem CID 133091567) has the molecular formula C12H7F4NO2 and a molecular weight of 273.19 g/mol. Its IUPAC name is 3-fluoro-5-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-fluoro-5-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
PubChem CID133091567
Molecular FormulaC12H7F4NO2
Molecular Weight273.19 g/mol
Exact Mass273.04
IUPAC Name3-fluoro-5-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
SMILESO=c1[nH]cc(-c2ccc(OC(F)(F)F)cc2)cc1F
InChIInChI=1S/C12H7F4NO2/c13-10-5-8(6-17-11(10)18)7-1-3-9(4-2-7)19-12(14,15)16/h1-6H,(H,17,18)
InChIKeySIGPXIWVJDSOOV-UHFFFAOYSA-N
XLogP3.08
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one?
The IUPAC name of 3-fluoro-5-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one (CID 133091567) is 3-fluoro-5-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-fluoro-5-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one?
The canonical SMILES for 3-fluoro-5-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one is O=c1[nH]cc(-c2ccc(OC(F)(F)F)cc2)cc1F.
What is the InChIKey of 3-fluoro-5-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one?
The InChIKey is SIGPXIWVJDSOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F4NO2/c13-10-5-8(6-17-11(10)18)7-1-3-9(4-2-7)19-12(14,15)16/h1-6H,(H,17,18).
What are the key properties of 3-fluoro-5-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one?
3-fluoro-5-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one has a molecular weight of 273.19 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 133091567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).