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

C8H6F5NO3 — CID 118811892

IUPAC4-(difluoromethyl)-6-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]c(CO)cc(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C8H6F5NO3/c9-6(10)4-1-3(2-15)14-7(16)5(4)17-8(11,12)13/h1,6,15H,2H2,(H,14,16)
InChIKeyFWEMTQOORKKDAC-UHFFFAOYSA-N
MW259.13 g/mol
LogP1.70
Rot. Bonds3

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

4-(difluoromethyl)-6-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 118811892) has the molecular formula C8H6F5NO3 and a molecular weight of 259.13 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-6-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID118811892
Molecular FormulaC8H6F5NO3
Molecular Weight259.13 g/mol
Exact Mass259.03
IUPAC Name4-(difluoromethyl)-6-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]c(CO)cc(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C8H6F5NO3/c9-6(10)4-1-3(2-15)14-7(16)5(4)17-8(11,12)13/h1,6,15H,2H2,(H,14,16)
InChIKeyFWEMTQOORKKDAC-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

4-(difluoromethyl)-6-(hydroxymethyl)-3-iodo-1H-pyridin-2-one
CID 118835424
5-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 134667310
6-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 134677760
4-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carboxylic acid
CID 118835212
2-[4-(difluoromethyl)-5-methoxy-6-oxo-1H-pyridin-2-yl]acetonitrile
CID 118823856
3-(difluoromethyl)-6-(hydroxymethyl)-4-methoxy-1H-pyridin-2-one
CID 130083414
6-(chloromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 130112451
4-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 134666315
4-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 118817785
methyl 2-[4-methoxy-6-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134680684
[5-(difluoromethyl)-4-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134670100
[2-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]methanol
CID 118999909

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 4-(difluoromethyl)-6-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one (CID 118811892) is 4-(difluoromethyl)-6-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-6-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 4-(difluoromethyl)-6-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one is O=c1[nH]c(CO)cc(C(F)F)c1OC(F)(F)F.
What is the InChIKey of 4-(difluoromethyl)-6-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is FWEMTQOORKKDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5NO3/c9-6(10)4-1-3(2-15)14-7(16)5(4)17-8(11,12)13/h1,6,15H,2H2,(H,14,16).
What are the key properties of 4-(difluoromethyl)-6-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one?
4-(difluoromethyl)-6-(hydroxymethyl)-3-(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)-6-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 118811892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).