3-phenyl-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-4-one

C18H12F3NO — CID 23345745

IUPAC3-phenyl-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-4-one
SMILESO=c1c(-c2ccccc2)c[nH]cc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H12F3NO/c19-18(20,21)14-8-4-7-13(9-14)16-11-22-10-15(17(16)23)12-5-2-1-3-6-12/h1-11H,(H,22,23)
InChIKeyIBMFYIVDYOTODR-UHFFFAOYSA-N
MW315.29 g/mol
LogP4.73
Rot. Bonds2

About 3-phenyl-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-4-one

3-phenyl-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-4-one (PubChem CID 23345745) has the molecular formula C18H12F3NO and a molecular weight of 315.29 g/mol. Its IUPAC name is 3-phenyl-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name3-phenyl-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-4-one
PubChem CID23345745
Molecular FormulaC18H12F3NO
Molecular Weight315.29 g/mol
Exact Mass315.09
IUPAC Name3-phenyl-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-4-one
SMILESO=c1c(-c2ccccc2)c[nH]cc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H12F3NO/c19-18(20,21)14-8-4-7-13(9-14)16-11-22-10-15(17(16)23)12-5-2-1-3-6-12/h1-11H,(H,22,23)
InChIKeyIBMFYIVDYOTODR-UHFFFAOYSA-N
XLogP4.73
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-4-one?
The IUPAC name of 3-phenyl-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-4-one (CID 23345745) is 3-phenyl-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-4-one.
What is the SMILES notation for 3-phenyl-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-4-one?
The canonical SMILES for 3-phenyl-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-4-one is O=c1c(-c2ccccc2)c[nH]cc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-phenyl-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-4-one?
The InChIKey is IBMFYIVDYOTODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NO/c19-18(20,21)14-8-4-7-13(9-14)16-11-22-10-15(17(16)23)12-5-2-1-3-6-12/h1-11H,(H,22,23).
What are the key properties of 3-phenyl-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-4-one?
3-phenyl-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-4-one has a molecular weight of 315.29 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-4-one is sourced from PubChem (CID 23345745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).