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

C19H15F3N2O3 — CID 69347693

IUPAC2,6-dimethyl-3-[4-oxo-6-[2-(trifluoromethoxy)phenyl]-1H-pyridin-3-yl]-1H-pyridin-4-one
SMILESCc1cc(=O)c(-c2c[nH]c(-c3ccccc3OC(F)(F)F)cc2=O)c(C)[nH]1
InChIInChI=1S/C19H15F3N2O3/c1-10-7-16(26)18(11(2)24-10)13-9-23-14(8-15(13)25)12-5-3-4-6-17(12)27-19(20,21)22/h3-9H,1-2H3,(H,23,25)(H,24,26)
InChIKeyILCFBNNKAYZMEB-UHFFFAOYSA-N
MW376.33 g/mol
LogP3.91
Rot. Bonds3

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

2,6-dimethyl-3-[4-oxo-6-[2-(trifluoromethoxy)phenyl]-1H-pyridin-3-yl]-1H-pyridin-4-one (PubChem CID 69347693) has the molecular formula C19H15F3N2O3 and a molecular weight of 376.33 g/mol. Its IUPAC name is 2,6-dimethyl-3-[4-oxo-6-[2-(trifluoromethoxy)phenyl]-1H-pyridin-3-yl]-1H-pyridin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-[4-oxo-6-[2-(trifluoromethoxy)phenyl]-1H-pyridin-3-yl]-1H-pyridin-4-one
PubChem CID69347693
Molecular FormulaC19H15F3N2O3
Molecular Weight376.33 g/mol
Exact Mass376.10
IUPAC Name2,6-dimethyl-3-[4-oxo-6-[2-(trifluoromethoxy)phenyl]-1H-pyridin-3-yl]-1H-pyridin-4-one
SMILESCc1cc(=O)c(-c2c[nH]c(-c3ccccc3OC(F)(F)F)cc2=O)c(C)[nH]1
InChIInChI=1S/C19H15F3N2O3/c1-10-7-16(26)18(11(2)24-10)13-9-23-14(8-15(13)25)12-5-3-4-6-17(12)27-19(20,21)22/h3-9H,1-2H3,(H,23,25)(H,24,26)
InChIKeyILCFBNNKAYZMEB-UHFFFAOYSA-N
XLogP3.91
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-[4-oxo-6-[2-(trifluoromethoxy)phenyl]-1H-pyridin-3-yl]-1H-pyridin-4-one?
The IUPAC name of 2,6-dimethyl-3-[4-oxo-6-[2-(trifluoromethoxy)phenyl]-1H-pyridin-3-yl]-1H-pyridin-4-one (CID 69347693) is 2,6-dimethyl-3-[4-oxo-6-[2-(trifluoromethoxy)phenyl]-1H-pyridin-3-yl]-1H-pyridin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-[4-oxo-6-[2-(trifluoromethoxy)phenyl]-1H-pyridin-3-yl]-1H-pyridin-4-one?
The canonical SMILES for 2,6-dimethyl-3-[4-oxo-6-[2-(trifluoromethoxy)phenyl]-1H-pyridin-3-yl]-1H-pyridin-4-one is Cc1cc(=O)c(-c2c[nH]c(-c3ccccc3OC(F)(F)F)cc2=O)c(C)[nH]1.
What is the InChIKey of 2,6-dimethyl-3-[4-oxo-6-[2-(trifluoromethoxy)phenyl]-1H-pyridin-3-yl]-1H-pyridin-4-one?
The InChIKey is ILCFBNNKAYZMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3/c1-10-7-16(26)18(11(2)24-10)13-9-23-14(8-15(13)25)12-5-3-4-6-17(12)27-19(20,21)22/h3-9H,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 2,6-dimethyl-3-[4-oxo-6-[2-(trifluoromethoxy)phenyl]-1H-pyridin-3-yl]-1H-pyridin-4-one?
2,6-dimethyl-3-[4-oxo-6-[2-(trifluoromethoxy)phenyl]-1H-pyridin-3-yl]-1H-pyridin-4-one has a molecular weight of 376.33 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-[4-oxo-6-[2-(trifluoromethoxy)phenyl]-1H-pyridin-3-yl]-1H-pyridin-4-one is sourced from PubChem (CID 69347693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).