4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-1H-pyridin-2-one

C8H6F5NO3 — CID 118801175

IUPAC4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-1H-pyridin-2-one
SMILESCOc1c[nH]c(=O)c(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C8H6F5NO3/c1-16-3-2-14-7(15)5(4(3)6(9)10)17-8(11,12)13/h2,6H,1H3,(H,14,15)
InChIKeyZLYUTTNKMCAIGZ-UHFFFAOYSA-N
MW259.13 g/mol
LogP2.22
Rot. Bonds3

About 4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-1H-pyridin-2-one

4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 118801175) has the molecular formula C8H6F5NO3 and a molecular weight of 259.13 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID118801175
Molecular FormulaC8H6F5NO3
Molecular Weight259.13 g/mol
Exact Mass259.03
IUPAC Name4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-1H-pyridin-2-one
SMILESCOc1c[nH]c(=O)c(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C8H6F5NO3/c1-16-3-2-14-7(15)5(4(3)6(9)10)17-8(11,12)13/h2,6H,1H3,(H,14,15)
InChIKeyZLYUTTNKMCAIGZ-UHFFFAOYSA-N
XLogP2.22
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.13
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-1H-pyridin-2-one (CID 118801175) is 4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-1H-pyridin-2-one is COc1c[nH]c(=O)c(OC(F)(F)F)c1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is ZLYUTTNKMCAIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5NO3/c1-16-3-2-14-7(15)5(4(3)6(9)10)17-8(11,12)13/h2,6H,1H3,(H,14,15).
What are the key properties of 4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-1H-pyridin-2-one?
4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 259.13 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 118801175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).