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

C12H7F4NO — CID 25093745

IUPAC1-(3-fluorophenyl)-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1-c1cccc(F)c1
InChIInChI=1S/C12H7F4NO/c13-9-2-1-3-10(6-9)17-7-8(12(14,15)16)4-5-11(17)18/h1-7H
InChIKeyJDRYOPRRPCHKKS-UHFFFAOYSA-N
MW257.19 g/mol
LogP3.00
Rot. Bonds1

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

1-(3-fluorophenyl)-5-(trifluoromethyl)pyridin-2-one (PubChem CID 25093745) has the molecular formula C12H7F4NO and a molecular weight of 257.19 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-5-(trifluoromethyl)pyridin-2-one
PubChem CID25093745
Molecular FormulaC12H7F4NO
Molecular Weight257.19 g/mol
Exact Mass257.05
IUPAC Name1-(3-fluorophenyl)-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1-c1cccc(F)c1
InChIInChI=1S/C12H7F4NO/c13-9-2-1-3-10(6-9)17-7-8(12(14,15)16)4-5-11(17)18/h1-7H
InChIKeyJDRYOPRRPCHKKS-UHFFFAOYSA-N
XLogP3.00
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.19
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(3-fluorophenyl)-5-(trifluoromethyl)pyridin-2-one (CID 25093745) is 1-(3-fluorophenyl)-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(3-fluorophenyl)-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(3-fluorophenyl)-5-(trifluoromethyl)pyridin-2-one is O=c1ccc(C(F)(F)F)cn1-c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is JDRYOPRRPCHKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F4NO/c13-9-2-1-3-10(6-9)17-7-8(12(14,15)16)4-5-11(17)18/h1-7H.
What are the key properties of 1-(3-fluorophenyl)-5-(trifluoromethyl)pyridin-2-one?
1-(3-fluorophenyl)-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 257.19 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 25093745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).