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

C8H5F6NO2 — CID 134658717

IUPAC6-methyl-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1cc(C(F)(F)F)c(OC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C8H5F6NO2/c1-3-2-4(7(9,10)11)5(6(16)15-3)17-8(12,13)14/h2H,1H3,(H,15,16)
InChIKeyUPYFVPJFBWPLGV-UHFFFAOYSA-N
MW261.12 g/mol
LogP2.60
Rot. Bonds1

About 6-methyl-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-one

6-methyl-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 134658717) has the molecular formula C8H5F6NO2 and a molecular weight of 261.12 g/mol. Its IUPAC name is 6-methyl-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methyl-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID134658717
Molecular FormulaC8H5F6NO2
Molecular Weight261.12 g/mol
Exact Mass261.02
IUPAC Name6-methyl-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1cc(C(F)(F)F)c(OC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C8H5F6NO2/c1-3-2-4(7(9,10)11)5(6(16)15-3)17-8(12,13)14/h2H,1H3,(H,15,16)
InChIKeyUPYFVPJFBWPLGV-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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Related Compounds

4-iodo-6-methyl-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111068
3-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 134677601
6-oxo-5-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-carboxylic acid
CID 134659825
6-methyl-3,4-bis(trifluoromethyl)-1H-pyridin-2-one
CID 173379056
2-chloro-6-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 130882908
3,4-dimethyl-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 131168157
7-fluoro-3-methyl-6-(trifluoromethyl)-2H-isoquinolin-1-one
CID 140679028
6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 20767670
3-(aminomethylsulfonyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 90102378
6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-carbonitrile
CID 133087830
methyl 2-[6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-yl]acetate
CID 134667295
3-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 134666705

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-methyl-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-one (CID 134658717) is 6-methyl-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-methyl-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-methyl-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-one is Cc1cc(C(F)(F)F)c(OC(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 6-methyl-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is UPYFVPJFBWPLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F6NO2/c1-3-2-4(7(9,10)11)5(6(16)15-3)17-8(12,13)14/h2H,1H3,(H,15,16).
What are the key properties of 6-methyl-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-one?
6-methyl-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-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 6-methyl-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 134658717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).