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

C8H6F5NO3 — CID 134677760

IUPAC6-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
SMILESO=c1cc(C(F)F)[nH]c(CO)c1OC(F)(F)F
InChIInChI=1S/C8H6F5NO3/c9-7(10)3-1-5(16)6(4(2-15)14-3)17-8(11,12)13/h1,7,15H,2H2,(H,14,16)
InChIKeyOHTLLDFATIGEEO-UHFFFAOYSA-N
MW259.13 g/mol
LogP1.70
Rot. Bonds3

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

6-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one (PubChem CID 134677760) has the molecular formula C8H6F5NO3 and a molecular weight of 259.13 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name6-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
PubChem CID134677760
Molecular FormulaC8H6F5NO3
Molecular Weight259.13 g/mol
Exact Mass259.03
IUPAC Name6-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
SMILESO=c1cc(C(F)F)[nH]c(CO)c1OC(F)(F)F
InChIInChI=1S/C8H6F5NO3/c9-7(10)3-1-5(16)6(4(2-15)14-3)17-8(11,12)13/h1,7,15H,2H2,(H,14,16)
InChIKeyOHTLLDFATIGEEO-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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Related Compounds

6-(chloromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 130112451
3-(aminomethyl)-6-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one
CID 130084616
4-(difluoromethyl)-6-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 118811892
5-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 134667310
2-(difluoromethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 130111333
2-(difluoromethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 134660918
2-(chloromethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 118849661
2-(chloromethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 118832470
2-(bromomethyl)-6-nitro-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 118810096
ethyl 2-[6-(difluoromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134660644
6-(difluoromethyl)-3-methoxy-4-oxo-1H-pyridine-2-carboxylic acid
CID 130083473
2-(chloromethyl)-6-(difluoromethyl)-3-iodo-1H-pyridin-4-one
CID 118826908

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one?
The IUPAC name of 6-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one (CID 134677760) is 6-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 6-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one?
The canonical SMILES for 6-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one is O=c1cc(C(F)F)[nH]c(CO)c1OC(F)(F)F.
What is the InChIKey of 6-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one?
The InChIKey is OHTLLDFATIGEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5NO3/c9-7(10)3-1-5(16)6(4(2-15)14-3)17-8(11,12)13/h1,7,15H,2H2,(H,14,16).
What are the key properties of 6-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one?
6-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-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 6-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 134677760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).