4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-1H-pyridin-2-one

C14H12F3NO2 — CID 57468687

IUPAC4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-1H-pyridin-2-one
SMILESCOc1cc(-c2cc(C)[nH]c(=O)c2)ccc1C(F)(F)F
InChIInChI=1S/C14H12F3NO2/c1-8-5-10(7-13(19)18-8)9-3-4-11(14(15,16)17)12(6-9)20-2/h3-7H,1-2H3,(H,18,19)
InChIKeyTYUITRSHJUXPQD-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.38
Rot. Bonds2

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

4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-1H-pyridin-2-one (PubChem CID 57468687) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is 4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-1H-pyridin-2-one
PubChem CID57468687
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-1H-pyridin-2-one
SMILESCOc1cc(-c2cc(C)[nH]c(=O)c2)ccc1C(F)(F)F
InChIInChI=1S/C14H12F3NO2/c1-8-5-10(7-13(19)18-8)9-3-4-11(14(15,16)17)12(6-9)20-2/h3-7H,1-2H3,(H,18,19)
InChIKeyTYUITRSHJUXPQD-UHFFFAOYSA-N
XLogP3.38
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-1H-pyridin-2-one (CID 57468687) is 4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-1H-pyridin-2-one is COc1cc(-c2cc(C)[nH]c(=O)c2)ccc1C(F)(F)F.
What is the InChIKey of 4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-1H-pyridin-2-one?
The InChIKey is TYUITRSHJUXPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c1-8-5-10(7-13(19)18-8)9-3-4-11(14(15,16)17)12(6-9)20-2/h3-7H,1-2H3,(H,18,19).
What are the key properties of 4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-1H-pyridin-2-one?
4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-1H-pyridin-2-one has a molecular weight of 283.25 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 57468687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).