5-methoxy-6-(2,4,6-trifluorophenyl)-3,4-dihydro-1H-pyridin-2-one

C12H10F3NO2 — CID 142490602

IUPAC5-methoxy-6-(2,4,6-trifluorophenyl)-3,4-dihydro-1H-pyridin-2-one
SMILESCOC1=C(c2c(F)cc(F)cc2F)NC(=O)CC1
InChIInChI=1S/C12H10F3NO2/c1-18-9-2-3-10(17)16-12(9)11-7(14)4-6(13)5-8(11)15/h4-5H,2-3H2,1H3,(H,16,17)
InChIKeyBYTRUMHYFPTOHL-UHFFFAOYSA-N
MW257.21 g/mol
LogP2.33
Rot. Bonds2

About 5-methoxy-6-(2,4,6-trifluorophenyl)-3,4-dihydro-1H-pyridin-2-one

5-methoxy-6-(2,4,6-trifluorophenyl)-3,4-dihydro-1H-pyridin-2-one (PubChem CID 142490602) has the molecular formula C12H10F3NO2 and a molecular weight of 257.21 g/mol. Its IUPAC name is 5-methoxy-6-(2,4,6-trifluorophenyl)-3,4-dihydro-1H-pyridin-2-one.

Molecular Properties

Compound Name5-methoxy-6-(2,4,6-trifluorophenyl)-3,4-dihydro-1H-pyridin-2-one
PubChem CID142490602
Molecular FormulaC12H10F3NO2
Molecular Weight257.21 g/mol
Exact Mass257.07
IUPAC Name5-methoxy-6-(2,4,6-trifluorophenyl)-3,4-dihydro-1H-pyridin-2-one
SMILESCOC1=C(c2c(F)cc(F)cc2F)NC(=O)CC1
InChIInChI=1S/C12H10F3NO2/c1-18-9-2-3-10(17)16-12(9)11-7(14)4-6(13)5-8(11)15/h4-5H,2-3H2,1H3,(H,16,17)
InChIKeyBYTRUMHYFPTOHL-UHFFFAOYSA-N
XLogP2.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-(2,4,6-trifluorophenyl)-3,4-dihydro-1H-pyridin-2-one?
The IUPAC name of 5-methoxy-6-(2,4,6-trifluorophenyl)-3,4-dihydro-1H-pyridin-2-one (CID 142490602) is 5-methoxy-6-(2,4,6-trifluorophenyl)-3,4-dihydro-1H-pyridin-2-one.
What is the SMILES notation for 5-methoxy-6-(2,4,6-trifluorophenyl)-3,4-dihydro-1H-pyridin-2-one?
The canonical SMILES for 5-methoxy-6-(2,4,6-trifluorophenyl)-3,4-dihydro-1H-pyridin-2-one is COC1=C(c2c(F)cc(F)cc2F)NC(=O)CC1.
What is the InChIKey of 5-methoxy-6-(2,4,6-trifluorophenyl)-3,4-dihydro-1H-pyridin-2-one?
The InChIKey is BYTRUMHYFPTOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO2/c1-18-9-2-3-10(17)16-12(9)11-7(14)4-6(13)5-8(11)15/h4-5H,2-3H2,1H3,(H,16,17).
What are the key properties of 5-methoxy-6-(2,4,6-trifluorophenyl)-3,4-dihydro-1H-pyridin-2-one?
5-methoxy-6-(2,4,6-trifluorophenyl)-3,4-dihydro-1H-pyridin-2-one has a molecular weight of 257.21 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-(2,4,6-trifluorophenyl)-3,4-dihydro-1H-pyridin-2-one is sourced from PubChem (CID 142490602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).