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

C13H10F3NO — CID 133091903

IUPAC4-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one
SMILESCc1cc[nH]c(=O)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H10F3NO/c1-8-5-6-17-12(18)11(8)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3,(H,17,18)
InChIKeyXSGWBZWPESEWMN-UHFFFAOYSA-N
MW253.22 g/mol
LogP3.37
Rot. Bonds1

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

4-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one (PubChem CID 133091903) has the molecular formula C13H10F3NO and a molecular weight of 253.22 g/mol. Its IUPAC name is 4-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one
PubChem CID133091903
Molecular FormulaC13H10F3NO
Molecular Weight253.22 g/mol
Exact Mass253.07
IUPAC Name4-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one
SMILESCc1cc[nH]c(=O)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H10F3NO/c1-8-5-6-17-12(18)11(8)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3,(H,17,18)
InChIKeyXSGWBZWPESEWMN-UHFFFAOYSA-N
XLogP3.37
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The IUPAC name of 4-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one (CID 133091903) is 4-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The canonical SMILES for 4-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one is Cc1cc[nH]c(=O)c1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The InChIKey is XSGWBZWPESEWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO/c1-8-5-6-17-12(18)11(8)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3,(H,17,18).
What are the key properties of 4-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
4-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one has a molecular weight of 253.22 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 133091903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).