4-(difluoromethyl)-5-(hydroxymethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one

C8H6F5NO3 — CID 118846576

IUPAC4-(difluoromethyl)-5-(hydroxymethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1cc(C(F)F)c(CO)c(OC(F)(F)F)[nH]1
InChIInChI=1S/C8H6F5NO3/c9-6(10)3-1-5(16)14-7(4(3)2-15)17-8(11,12)13/h1,6,15H,2H2,(H,14,16)
InChIKeyRETWLEGJLMZJCE-UHFFFAOYSA-N
MW259.13 g/mol
LogP1.70
Rot. Bonds3

About 4-(difluoromethyl)-5-(hydroxymethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one

4-(difluoromethyl)-5-(hydroxymethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 118846576) has the molecular formula C8H6F5NO3 and a molecular weight of 259.13 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-(hydroxymethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-5-(hydroxymethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID118846576
Molecular FormulaC8H6F5NO3
Molecular Weight259.13 g/mol
Exact Mass259.03
IUPAC Name4-(difluoromethyl)-5-(hydroxymethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1cc(C(F)F)c(CO)c(OC(F)(F)F)[nH]1
InChIInChI=1S/C8H6F5NO3/c9-6(10)3-1-5(16)14-7(4(3)2-15)17-8(11,12)13/h1,6,15H,2H2,(H,14,16)
InChIKeyRETWLEGJLMZJCE-UHFFFAOYSA-N
XLogP1.70
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.13
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-(hydroxymethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 4-(difluoromethyl)-5-(hydroxymethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one (CID 118846576) is 4-(difluoromethyl)-5-(hydroxymethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-5-(hydroxymethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 4-(difluoromethyl)-5-(hydroxymethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one is O=c1cc(C(F)F)c(CO)c(OC(F)(F)F)[nH]1.
What is the InChIKey of 4-(difluoromethyl)-5-(hydroxymethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is RETWLEGJLMZJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5NO3/c9-6(10)3-1-5(16)14-7(4(3)2-15)17-8(11,12)13/h1,6,15H,2H2,(H,14,16).
What are the key properties of 4-(difluoromethyl)-5-(hydroxymethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one?
4-(difluoromethyl)-5-(hydroxymethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 259.13 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-(hydroxymethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 118846576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).