4-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-pyridin-2-one

C13H10F3NO2 — CID 138970268

IUPAC4-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCOc1ccc(-c2cc(C(F)(F)F)[nH]c(=O)c2)cc1
InChIInChI=1S/C13H10F3NO2/c1-19-10-4-2-8(3-5-10)9-6-11(13(14,15)16)17-12(18)7-9/h2-7H,1H3,(H,17,18)
InChIKeySDCZUIDEACRDTQ-UHFFFAOYSA-N
MW269.22 g/mol
LogP3.07
Rot. Bonds2

About 4-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-pyridin-2-one

4-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 138970268) has the molecular formula C13H10F3NO2 and a molecular weight of 269.22 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID138970268
Molecular FormulaC13H10F3NO2
Molecular Weight269.22 g/mol
Exact Mass269.07
IUPAC Name4-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCOc1ccc(-c2cc(C(F)(F)F)[nH]c(=O)c2)cc1
InChIInChI=1S/C13H10F3NO2/c1-19-10-4-2-8(3-5-10)9-6-11(13(14,15)16)17-12(18)7-9/h2-7H,1H3,(H,17,18)
InChIKeySDCZUIDEACRDTQ-UHFFFAOYSA-N
XLogP3.07
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-pyridin-2-one (CID 138970268) is 4-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-pyridin-2-one is COc1ccc(-c2cc(C(F)(F)F)[nH]c(=O)c2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is SDCZUIDEACRDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO2/c1-19-10-4-2-8(3-5-10)9-6-11(13(14,15)16)17-12(18)7-9/h2-7H,1H3,(H,17,18).
What are the key properties of 4-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
4-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 269.22 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 138970268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).