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

C8H6F5NO3 — CID 134667310

IUPAC5-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
SMILESO=c1c(C(F)F)c[nH]c(CO)c1OC(F)(F)F
InChIInChI=1S/C8H6F5NO3/c9-7(10)3-1-14-4(2-15)6(5(3)16)17-8(11,12)13/h1,7,15H,2H2,(H,14,16)
InChIKeyQAAYBGDZJHDBMW-UHFFFAOYSA-N
MW259.13 g/mol
LogP1.70
Rot. Bonds3

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

5-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one (PubChem CID 134667310) has the molecular formula C8H6F5NO3 and a molecular weight of 259.13 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name5-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
PubChem CID134667310
Molecular FormulaC8H6F5NO3
Molecular Weight259.13 g/mol
Exact Mass259.03
IUPAC Name5-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
SMILESO=c1c(C(F)F)c[nH]c(CO)c1OC(F)(F)F
InChIInChI=1S/C8H6F5NO3/c9-7(10)3-1-14-4(2-15)6(5(3)16)17-8(11,12)13/h1,7,15H,2H2,(H,14,16)
InChIKeyQAAYBGDZJHDBMW-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

5-(fluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 134679059
3-(chloromethyl)-5-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one
CID 130085159
5-(difluoromethyl)-2-(hydroxymethyl)-3-nitro-1H-pyridin-4-one
CID 130084380
4-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 118817785
4-(difluoromethyl)-6-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 118811892
6-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 134677760
4-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 134666315
methyl 2-[5-(difluoromethyl)-4-oxo-3-(trifluoromethyl)-1H-pyridin-2-yl]acetate
CID 133102426
6-(aminomethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid
CID 118808776
3-amino-2-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-4-one
CID 130104725
2-[3-amino-5-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetic acid
CID 133093442
2-(difluoromethyl)-5-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 130112028

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one?
The IUPAC name of 5-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one (CID 134667310) is 5-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 5-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one?
The canonical SMILES for 5-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one is O=c1c(C(F)F)c[nH]c(CO)c1OC(F)(F)F.
What is the InChIKey of 5-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one?
The InChIKey is QAAYBGDZJHDBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5NO3/c9-7(10)3-1-14-4(2-15)6(5(3)16)17-8(11,12)13/h1,7,15H,2H2,(H,14,16).
What are the key properties of 5-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one?
5-(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 5-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 134667310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).