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

C20H13F6NO — CID 12879233

IUPAC1-methyl-3,5-bis[3-(trifluoromethyl)phenyl]pyridin-4-one
SMILESCn1cc(-c2cccc(C(F)(F)F)c2)c(=O)c(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C20H13F6NO/c1-27-10-16(12-4-2-6-14(8-12)19(21,22)23)18(28)17(11-27)13-5-3-7-15(9-13)20(24,25)26/h2-11H,1H3
InChIKeyPZBXEGSLTCUVJO-UHFFFAOYSA-N
MW397.32 g/mol
LogP5.76
Rot. Bonds2

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

1-methyl-3,5-bis[3-(trifluoromethyl)phenyl]pyridin-4-one (PubChem CID 12879233) has the molecular formula C20H13F6NO and a molecular weight of 397.32 g/mol. Its IUPAC name is 1-methyl-3,5-bis[3-(trifluoromethyl)phenyl]pyridin-4-one.

Molecular Properties

Compound Name1-methyl-3,5-bis[3-(trifluoromethyl)phenyl]pyridin-4-one
PubChem CID12879233
Molecular FormulaC20H13F6NO
Molecular Weight397.32 g/mol
Exact Mass397.09
IUPAC Name1-methyl-3,5-bis[3-(trifluoromethyl)phenyl]pyridin-4-one
SMILESCn1cc(-c2cccc(C(F)(F)F)c2)c(=O)c(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C20H13F6NO/c1-27-10-16(12-4-2-6-14(8-12)19(21,22)23)18(28)17(11-27)13-5-3-7-15(9-13)20(24,25)26/h2-11H,1H3
InChIKeyPZBXEGSLTCUVJO-UHFFFAOYSA-N
XLogP5.76
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.32
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-3,5-bis[3-(trifluoromethyl)phenyl]pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,5-bis[3-(trifluoromethyl)phenyl]pyridin-4-one?
The IUPAC name of 1-methyl-3,5-bis[3-(trifluoromethyl)phenyl]pyridin-4-one (CID 12879233) is 1-methyl-3,5-bis[3-(trifluoromethyl)phenyl]pyridin-4-one.
What is the SMILES notation for 1-methyl-3,5-bis[3-(trifluoromethyl)phenyl]pyridin-4-one?
The canonical SMILES for 1-methyl-3,5-bis[3-(trifluoromethyl)phenyl]pyridin-4-one is Cn1cc(-c2cccc(C(F)(F)F)c2)c(=O)c(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 1-methyl-3,5-bis[3-(trifluoromethyl)phenyl]pyridin-4-one?
The InChIKey is PZBXEGSLTCUVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F6NO/c1-27-10-16(12-4-2-6-14(8-12)19(21,22)23)18(28)17(11-27)13-5-3-7-15(9-13)20(24,25)26/h2-11H,1H3.
What are the key properties of 1-methyl-3,5-bis[3-(trifluoromethyl)phenyl]pyridin-4-one?
1-methyl-3,5-bis[3-(trifluoromethyl)phenyl]pyridin-4-one has a molecular weight of 397.32 g/mol, XLogP of 5.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,5-bis[3-(trifluoromethyl)phenyl]pyridin-4-one is sourced from PubChem (CID 12879233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).