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

C7H5F4NO2 — CID 118827791

IUPAC4-fluoro-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one
SMILESCc1c(F)cc(=O)[nH]c1OC(F)(F)F
InChIInChI=1S/C7H5F4NO2/c1-3-4(8)2-5(13)12-6(3)14-7(9,10)11/h2H,1H3,(H,12,13)
InChIKeyCWVCTGZYQVATMQ-UHFFFAOYSA-N
MW211.11 g/mol
LogP1.72
Rot. Bonds1

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

4-fluoro-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 118827791) has the molecular formula C7H5F4NO2 and a molecular weight of 211.11 g/mol. Its IUPAC name is 4-fluoro-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-fluoro-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID118827791
Molecular FormulaC7H5F4NO2
Molecular Weight211.11 g/mol
Exact Mass211.03
IUPAC Name4-fluoro-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one
SMILESCc1c(F)cc(=O)[nH]c1OC(F)(F)F
InChIInChI=1S/C7H5F4NO2/c1-3-4(8)2-5(13)12-6(3)14-7(9,10)11/h2H,1H3,(H,12,13)
InChIKeyCWVCTGZYQVATMQ-UHFFFAOYSA-N
XLogP1.72
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.11
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 4-fluoro-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one (CID 118827791) is 4-fluoro-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 4-fluoro-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 4-fluoro-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one is Cc1c(F)cc(=O)[nH]c1OC(F)(F)F.
What is the InChIKey of 4-fluoro-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is CWVCTGZYQVATMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F4NO2/c1-3-4(8)2-5(13)12-6(3)14-7(9,10)11/h2H,1H3,(H,12,13).
What are the key properties of 4-fluoro-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one?
4-fluoro-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 211.11 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 118827791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).