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

C8H6F5NO2 — CID 130085392

IUPAC5-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1c(C(F)F)c[nH]c(CO)c1C(F)(F)F
InChIInChI=1S/C8H6F5NO2/c9-7(10)3-1-14-4(2-15)5(6(3)16)8(11,12)13/h1,7,15H,2H2,(H,14,16)
InChIKeyDWWOWDSEEOCTQJ-UHFFFAOYSA-N
MW243.13 g/mol
LogP1.82
Rot. Bonds2

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

5-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 130085392) has the molecular formula C8H6F5NO2 and a molecular weight of 243.13 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name5-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID130085392
Molecular FormulaC8H6F5NO2
Molecular Weight243.13 g/mol
Exact Mass243.03
IUPAC Name5-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1c(C(F)F)c[nH]c(CO)c1C(F)(F)F
InChIInChI=1S/C8H6F5NO2/c9-7(10)3-1-14-4(2-15)5(6(3)16)8(11,12)13/h1,7,15H,2H2,(H,14,16)
InChIKeyDWWOWDSEEOCTQJ-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 5-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyridin-4-one (CID 130085392) is 5-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 5-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 5-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyridin-4-one is O=c1c(C(F)F)c[nH]c(CO)c1C(F)(F)F.
What is the InChIKey of 5-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is DWWOWDSEEOCTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5NO2/c9-7(10)3-1-14-4(2-15)5(6(3)16)8(11,12)13/h1,7,15H,2H2,(H,14,16).
What are the key properties of 5-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyridin-4-one?
5-(difluoromethyl)-2-(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 5-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 130085392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).