3-(hydroxymethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one

C8H5F6NO3 — CID 118833449

IUPAC3-(hydroxymethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc(C(F)(F)F)[nH]c(OC(F)(F)F)c1CO
InChIInChI=1S/C8H5F6NO3/c9-7(10,11)5-1-4(17)3(2-16)6(15-5)18-8(12,13)14/h1,16H,2H2,(H,15,17)
InChIKeyLYRIHKBTPIHQRD-UHFFFAOYSA-N
MW277.12 g/mol
LogP1.78
Rot. Bonds2

About 3-(hydroxymethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one

3-(hydroxymethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 118833449) has the molecular formula C8H5F6NO3 and a molecular weight of 277.12 g/mol. Its IUPAC name is 3-(hydroxymethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(hydroxymethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID118833449
Molecular FormulaC8H5F6NO3
Molecular Weight277.12 g/mol
Exact Mass277.02
IUPAC Name3-(hydroxymethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc(C(F)(F)F)[nH]c(OC(F)(F)F)c1CO
InChIInChI=1S/C8H5F6NO3/c9-7(10,11)5-1-4(17)3(2-16)6(15-5)18-8(12,13)14/h1,16H,2H2,(H,15,17)
InChIKeyLYRIHKBTPIHQRD-UHFFFAOYSA-N
XLogP1.78
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(hydroxymethyl)-2-(trifluoromethoxy)-6-(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

Related Compounds

3-iodo-2-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 118844262
2-(difluoromethyl)-3-(hydroxymethyl)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 130085372
2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 134659569
2-(chloromethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 118849661
3-(difluoromethyl)-2-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one
CID 130083350
2-(difluoromethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 134660918
methyl 2-[6-methoxy-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
CID 134665198
methyl 2-[5-(fluoromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134660865
3-(hydroxymethyl)-5-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one
CID 118816283
3-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 134666705
ethyl 2-[5-(chloromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134664506
6-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 134677760

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 3-(hydroxymethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one (CID 118833449) is 3-(hydroxymethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 3-(hydroxymethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 3-(hydroxymethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one is O=c1cc(C(F)(F)F)[nH]c(OC(F)(F)F)c1CO.
What is the InChIKey of 3-(hydroxymethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is LYRIHKBTPIHQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F6NO3/c9-7(10,11)5-1-4(17)3(2-16)6(15-5)18-8(12,13)14/h1,16H,2H2,(H,15,17).
What are the key properties of 3-(hydroxymethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one?
3-(hydroxymethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one has a molecular weight of 277.12 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 118833449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).