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

C12H7F4NO — CID 46312797

IUPAC3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)(F)F)cc1-c1ccc(F)cc1
InChIInChI=1S/C12H7F4NO/c13-9-3-1-7(2-4-9)10-5-8(12(14,15)16)6-17-11(10)18/h1-6H,(H,17,18)
InChIKeyUHSYQEBIEIWYOZ-UHFFFAOYSA-N
MW257.19 g/mol
LogP3.20
Rot. Bonds1

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

3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 46312797) has the molecular formula C12H7F4NO and a molecular weight of 257.19 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID46312797
Molecular FormulaC12H7F4NO
Molecular Weight257.19 g/mol
Exact Mass257.05
IUPAC Name3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)(F)F)cc1-c1ccc(F)cc1
InChIInChI=1S/C12H7F4NO/c13-9-3-1-7(2-4-9)10-5-8(12(14,15)16)6-17-11(10)18/h1-6H,(H,17,18)
InChIKeyUHSYQEBIEIWYOZ-UHFFFAOYSA-N
XLogP3.20
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.19
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyridin-2-one (CID 46312797) is 3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]cc(C(F)(F)F)cc1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is UHSYQEBIEIWYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F4NO/c13-9-3-1-7(2-4-9)10-5-8(12(14,15)16)6-17-11(10)18/h1-6H,(H,17,18).
What are the key properties of 3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyridin-2-one?
3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 257.19 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 46312797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).