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

C8H6F5NO3 — CID 118803691

IUPAC2-(difluoromethyl)-5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
SMILESO=c1c(CO)c[nH]c(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C8H6F5NO3/c9-7(10)4-6(17-8(11,12)13)5(16)3(2-15)1-14-4/h1,7,15H,2H2,(H,14,16)
InChIKeyNUQVHOLTCWELGT-UHFFFAOYSA-N
MW259.13 g/mol
LogP1.70
Rot. Bonds3

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

2-(difluoromethyl)-5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one (PubChem CID 118803691) has the molecular formula C8H6F5NO3 and a molecular weight of 259.13 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)-5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
PubChem CID118803691
Molecular FormulaC8H6F5NO3
Molecular Weight259.13 g/mol
Exact Mass259.03
IUPAC Name2-(difluoromethyl)-5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
SMILESO=c1c(CO)c[nH]c(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C8H6F5NO3/c9-7(10)4-6(17-8(11,12)13)5(16)3(2-15)1-14-4/h1,7,15H,2H2,(H,14,16)
InChIKeyNUQVHOLTCWELGT-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

3,4-Dihydroxy-2-methylpyridine-5-methanol
CID 593354
3-Hydroxy-2-methyl-5-(2,2,2-trifluoro-1-hydroxy-ethyl)-1H-pyridin-4-one
CID 25018649
3-hydroxy-2-methyl-5-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-1H-pyridin-4-one
CID 67281563
2-ethyl-3-hydroxy-5-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4(1H)-one
CID 118389744
2-(Difluoromethyl)-4-hydroxy-5-methoxypyridine-3-methanol
CID 118809310
2-(Difluoromethyl)-4-hydroxy-3-methoxypyridine-5-carboxylic acid
CID 118814846
2-(bromomethyl)-5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 118815720
2-(aminomethyl)-5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 118825520
2-(Difluoromethyl)-4-hydroxy-3-(trifluoromethyl)pyridine-5-methanol
CID 118826049
2-(Difluoromethyl)-4,5-dihydroxypyridine-3-methanol
CID 118826189
2-(Difluoromethyl)-4-hydroxy-3-methoxypyridine-5-methanol
CID 118826217
6-(fluoromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid
CID 118826240

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one?
The IUPAC name of 2-(difluoromethyl)-5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one (CID 118803691) is 2-(difluoromethyl)-5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 2-(difluoromethyl)-5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one?
The canonical SMILES for 2-(difluoromethyl)-5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one is O=c1c(CO)c[nH]c(C(F)F)c1OC(F)(F)F.
What is the InChIKey of 2-(difluoromethyl)-5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one?
The InChIKey is NUQVHOLTCWELGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5NO3/c9-7(10)4-6(17-8(11,12)13)5(16)3(2-15)1-14-4/h1,7,15H,2H2,(H,14,16).
What are the key properties of 2-(difluoromethyl)-5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one?
2-(difluoromethyl)-5-(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 2-(difluoromethyl)-5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 118803691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).