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

C20H14F3NO2 — CID 13201825

IUPAC3-benzoyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
SMILESCn1cc(C(=O)c2ccccc2)c(=O)c(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C20H14F3NO2/c1-24-11-16(14-8-5-9-15(10-14)20(21,22)23)19(26)17(12-24)18(25)13-6-3-2-4-7-13/h2-12H,1H3
InChIKeyJZVPWFIVKTWTBC-UHFFFAOYSA-N
MW357.33 g/mol
LogP4.30
Rot. Bonds3

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

3-benzoyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one (PubChem CID 13201825) has the molecular formula C20H14F3NO2 and a molecular weight of 357.33 g/mol. Its IUPAC name is 3-benzoyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one.

Molecular Properties

Compound Name3-benzoyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
PubChem CID13201825
Molecular FormulaC20H14F3NO2
Molecular Weight357.33 g/mol
Exact Mass357.10
IUPAC Name3-benzoyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
SMILESCn1cc(C(=O)c2ccccc2)c(=O)c(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C20H14F3NO2/c1-24-11-16(14-8-5-9-15(10-14)20(21,22)23)19(26)17(12-24)18(25)13-6-3-2-4-7-13/h2-12H,1H3
InChIKeyJZVPWFIVKTWTBC-UHFFFAOYSA-N
XLogP4.30
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
CID 12879322
3-(3,4-dimethylphenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
CID 12879369
3-(2,4-dimethylphenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
CID 12879381
phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 132564507
1-methyl-3-(1H-1,2,4-triazol-5-yl)-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
CID 70513834
3-(2,5-dichlorophenoxy)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
CID 12879389
1-methyl-3-[3-(trifluoromethyl)phenyl]indole-6-carboxylic acid
CID 59625707
4,5-difluoro-2-[3-(trifluoromethyl)phenyl]benzoic acid
CID 118812821
phenyl-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methanone
CID 135016793
1-methyl-3-[3-(trifluoromethyl)phenyl]pyrrole-2-carboxylic acid
CID 117222908
1-ethyl-4-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxylic acid
CID 117223527
2-methyl-3-[3-(trifluoromethyl)phenyl]benzoic acid
CID 53227606

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one?
The IUPAC name of 3-benzoyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one (CID 13201825) is 3-benzoyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one.
What is the SMILES notation for 3-benzoyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one?
The canonical SMILES for 3-benzoyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one is Cn1cc(C(=O)c2ccccc2)c(=O)c(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-benzoyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one?
The InChIKey is JZVPWFIVKTWTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3NO2/c1-24-11-16(14-8-5-9-15(10-14)20(21,22)23)19(26)17(12-24)18(25)13-6-3-2-4-7-13/h2-12H,1H3.
What are the key properties of 3-benzoyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one?
3-benzoyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one has a molecular weight of 357.33 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one is sourced from PubChem (CID 13201825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).