2-(difluoromethyl)-5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyridin-4-one

C8H6F5NO2 — CID 118826049

IUPAC2-(difluoromethyl)-5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1c(CO)c[nH]c(C(F)F)c1C(F)(F)F
InChIInChI=1S/C8H6F5NO2/c9-7(10)5-4(8(11,12)13)6(16)3(2-15)1-14-5/h1,7,15H,2H2,(H,14,16)
InChIKeyMMQDGLBPDFNEIZ-UHFFFAOYSA-N
MW243.13 g/mol
LogP1.82
Rot. Bonds2

About 2-(difluoromethyl)-5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyridin-4-one

2-(difluoromethyl)-5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 118826049) has the molecular formula C8H6F5NO2 and a molecular weight of 243.13 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)-5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID118826049
Molecular FormulaC8H6F5NO2
Molecular Weight243.13 g/mol
Exact Mass243.03
IUPAC Name2-(difluoromethyl)-5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1c(CO)c[nH]c(C(F)F)c1C(F)(F)F
InChIInChI=1S/C8H6F5NO2/c9-7(10)5-4(8(11,12)13)6(16)3(2-15)1-14-5/h1,7,15H,2H2,(H,14,16)
InChIKeyMMQDGLBPDFNEIZ-UHFFFAOYSA-N
XLogP1.82
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 2-(difluoromethyl)-5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyridin-4-one (CID 118826049) is 2-(difluoromethyl)-5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(difluoromethyl)-5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 2-(difluoromethyl)-5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyridin-4-one is O=c1c(CO)c[nH]c(C(F)F)c1C(F)(F)F.
What is the InChIKey of 2-(difluoromethyl)-5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is MMQDGLBPDFNEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5NO2/c9-7(10)5-4(8(11,12)13)6(16)3(2-15)1-14-5/h1,7,15H,2H2,(H,14,16).
What are the key properties of 2-(difluoromethyl)-5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyridin-4-one?
2-(difluoromethyl)-5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyridin-4-one has a molecular weight of 243.13 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 118826049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).