5-methyl-3-(trifluoromethoxy)-2-(trifluoromethyl)-1H-pyridin-4-one

C8H5F6NO2 — CID 118838645

IUPAC5-methyl-3-(trifluoromethoxy)-2-(trifluoromethyl)-1H-pyridin-4-one
SMILESCc1c[nH]c(C(F)(F)F)c(OC(F)(F)F)c1=O
InChIInChI=1S/C8H5F6NO2/c1-3-2-15-6(7(9,10)11)5(4(3)16)17-8(12,13)14/h2H,1H3,(H,15,16)
InChIKeyVYEAOCIQKKYKEA-UHFFFAOYSA-N
MW261.12 g/mol
LogP2.60
Rot. Bonds1

About 5-methyl-3-(trifluoromethoxy)-2-(trifluoromethyl)-1H-pyridin-4-one

5-methyl-3-(trifluoromethoxy)-2-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 118838645) has the molecular formula C8H5F6NO2 and a molecular weight of 261.12 g/mol. Its IUPAC name is 5-methyl-3-(trifluoromethoxy)-2-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name5-methyl-3-(trifluoromethoxy)-2-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID118838645
Molecular FormulaC8H5F6NO2
Molecular Weight261.12 g/mol
Exact Mass261.02
IUPAC Name5-methyl-3-(trifluoromethoxy)-2-(trifluoromethyl)-1H-pyridin-4-one
SMILESCc1c[nH]c(C(F)(F)F)c(OC(F)(F)F)c1=O
InChIInChI=1S/C8H5F6NO2/c1-3-2-15-6(7(9,10)11)5(4(3)16)17-8(12,13)14/h2H,1H3,(H,15,16)
InChIKeyVYEAOCIQKKYKEA-UHFFFAOYSA-N
XLogP2.60
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(trifluoromethoxy)-2-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 5-methyl-3-(trifluoromethoxy)-2-(trifluoromethyl)-1H-pyridin-4-one (CID 118838645) is 5-methyl-3-(trifluoromethoxy)-2-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 5-methyl-3-(trifluoromethoxy)-2-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 5-methyl-3-(trifluoromethoxy)-2-(trifluoromethyl)-1H-pyridin-4-one is Cc1c[nH]c(C(F)(F)F)c(OC(F)(F)F)c1=O.
What is the InChIKey of 5-methyl-3-(trifluoromethoxy)-2-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is VYEAOCIQKKYKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F6NO2/c1-3-2-15-6(7(9,10)11)5(4(3)16)17-8(12,13)14/h2H,1H3,(H,15,16).
What are the key properties of 5-methyl-3-(trifluoromethoxy)-2-(trifluoromethyl)-1H-pyridin-4-one?
5-methyl-3-(trifluoromethoxy)-2-(trifluoromethyl)-1H-pyridin-4-one has a molecular weight of 261.12 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(trifluoromethoxy)-2-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 118838645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).