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

C8H5F6NO2 — CID 134658933

IUPAC5-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1c(OC(F)(F)F)cc(=O)[nH]c1C(F)(F)F
InChIInChI=1S/C8H5F6NO2/c1-3-4(17-8(12,13)14)2-5(16)15-6(3)7(9,10)11/h2H,1H3,(H,15,16)
InChIKeyGZKZTLPLPXSUCN-UHFFFAOYSA-N
MW261.12 g/mol
LogP2.60
Rot. Bonds1

About 5-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one

5-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 134658933) has the molecular formula C8H5F6NO2 and a molecular weight of 261.12 g/mol. Its IUPAC name is 5-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID134658933
Molecular FormulaC8H5F6NO2
Molecular Weight261.12 g/mol
Exact Mass261.02
IUPAC Name5-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1c(OC(F)(F)F)cc(=O)[nH]c1C(F)(F)F
InChIInChI=1S/C8H5F6NO2/c1-3-4(17-8(12,13)14)2-5(16)15-6(3)7(9,10)11/h2H,1H3,(H,15,16)
InChIKeyGZKZTLPLPXSUCN-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

methyl 6-oxo-4-(trifluoromethoxy)-2-(trifluoromethyl)-1H-pyridine-3-carboxylate
CID 134664543
3-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 134666705
5-hydroxy-6-methyl-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 131214048
methyl 2-[3-methyl-6-oxo-4-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134658759
6-(difluoromethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 134679073
4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 130092712
6-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 118848207
4-(bromomethyl)-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111919
5-iodo-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111016
5-(difluoromethyl)-4-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 130083827
2-methoxy-6-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride
CID 131311062
3-(aminomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 134664492

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one (CID 134658933) is 5-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one is Cc1c(OC(F)(F)F)cc(=O)[nH]c1C(F)(F)F.
What is the InChIKey of 5-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is GZKZTLPLPXSUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F6NO2/c1-3-4(17-8(12,13)14)2-5(16)15-6(3)7(9,10)11/h2H,1H3,(H,15,16).
What are the key properties of 5-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one?
5-methyl-4-(trifluoromethoxy)-6-(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 5-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 134658933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).