4-methyl-5-[2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxoethyl]-1H-pyridin-2-one

C15H13F3N2O2 — CID 167603251

IUPAC4-methyl-5-[2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxoethyl]-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]cc1CC(=O)c1ccc(C(F)(F)F)nc1C
InChIInChI=1S/C15H13F3N2O2/c1-8-5-14(22)19-7-10(8)6-12(21)11-3-4-13(15(16,17)18)20-9(11)2/h3-5,7H,6H2,1-2H3,(H,19,22)
InChIKeyKAGVRVVLPZDYMA-UHFFFAOYSA-N
MW310.28 g/mol
LogP2.83
Rot. Bonds3

About 4-methyl-5-[2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxoethyl]-1H-pyridin-2-one

4-methyl-5-[2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxoethyl]-1H-pyridin-2-one (PubChem CID 167603251) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is 4-methyl-5-[2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxoethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-methyl-5-[2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxoethyl]-1H-pyridin-2-one
PubChem CID167603251
Molecular FormulaC15H13F3N2O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC Name4-methyl-5-[2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxoethyl]-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]cc1CC(=O)c1ccc(C(F)(F)F)nc1C
InChIInChI=1S/C15H13F3N2O2/c1-8-5-14(22)19-7-10(8)6-12(21)11-3-4-13(15(16,17)18)20-9(11)2/h3-5,7H,6H2,1-2H3,(H,19,22)
InChIKeyKAGVRVVLPZDYMA-UHFFFAOYSA-N
XLogP2.83
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxoethyl]-1H-pyridin-2-one?
The IUPAC name of 4-methyl-5-[2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxoethyl]-1H-pyridin-2-one (CID 167603251) is 4-methyl-5-[2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxoethyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-methyl-5-[2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxoethyl]-1H-pyridin-2-one?
The canonical SMILES for 4-methyl-5-[2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxoethyl]-1H-pyridin-2-one is Cc1cc(=O)[nH]cc1CC(=O)c1ccc(C(F)(F)F)nc1C.
What is the InChIKey of 4-methyl-5-[2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxoethyl]-1H-pyridin-2-one?
The InChIKey is KAGVRVVLPZDYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c1-8-5-14(22)19-7-10(8)6-12(21)11-3-4-13(15(16,17)18)20-9(11)2/h3-5,7H,6H2,1-2H3,(H,19,22).
What are the key properties of 4-methyl-5-[2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxoethyl]-1H-pyridin-2-one?
4-methyl-5-[2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxoethyl]-1H-pyridin-2-one has a molecular weight of 310.28 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxoethyl]-1H-pyridin-2-one is sourced from PubChem (CID 167603251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).