2,6-dimethyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridin-4-one

C14H12F3NO — CID 15171323

IUPAC2,6-dimethyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridin-4-one
SMILESCc1cc(=O)c(-c2ccc(C(F)(F)F)cc2)c(C)[nH]1
InChIInChI=1S/C14H12F3NO/c1-8-7-12(19)13(9(2)18-8)10-3-5-11(6-4-10)14(15,16)17/h3-7H,1-2H3,(H,18,19)
InChIKeyWSVKQCMYBSKZHT-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.68
Rot. Bonds1

About 2,6-dimethyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridin-4-one

2,6-dimethyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridin-4-one (PubChem CID 15171323) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 2,6-dimethyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridin-4-one
PubChem CID15171323
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name2,6-dimethyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridin-4-one
SMILESCc1cc(=O)c(-c2ccc(C(F)(F)F)cc2)c(C)[nH]1
InChIInChI=1S/C14H12F3NO/c1-8-7-12(19)13(9(2)18-8)10-3-5-11(6-4-10)14(15,16)17/h3-7H,1-2H3,(H,18,19)
InChIKeyWSVKQCMYBSKZHT-UHFFFAOYSA-N
XLogP3.68
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridin-4-one?
The IUPAC name of 2,6-dimethyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridin-4-one (CID 15171323) is 2,6-dimethyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridin-4-one?
The canonical SMILES for 2,6-dimethyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridin-4-one is Cc1cc(=O)c(-c2ccc(C(F)(F)F)cc2)c(C)[nH]1.
What is the InChIKey of 2,6-dimethyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridin-4-one?
The InChIKey is WSVKQCMYBSKZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c1-8-7-12(19)13(9(2)18-8)10-3-5-11(6-4-10)14(15,16)17/h3-7H,1-2H3,(H,18,19).
What are the key properties of 2,6-dimethyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridin-4-one?
2,6-dimethyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridin-4-one has a molecular weight of 267.25 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridin-4-one is sourced from PubChem (CID 15171323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).