2-(difluoromethyl)-5-fluoro-3-hydroxy-1H-pyridin-4-one

C6H4F3NO2 — CID 130100050

IUPAC2-(difluoromethyl)-5-fluoro-3-hydroxy-1H-pyridin-4-one
SMILESO=c1c(F)c[nH]c(C(F)F)c1O
InChIInChI=1S/C6H4F3NO2/c7-2-1-10-3(6(8)9)5(12)4(2)11/h1,6,12H,(H,10,11)
InChIKeyDPKOHNUDGRNVDX-UHFFFAOYSA-N
MW179.10 g/mol
LogP1.16
Rot. Bonds1

About 2-(difluoromethyl)-5-fluoro-3-hydroxy-1H-pyridin-4-one

2-(difluoromethyl)-5-fluoro-3-hydroxy-1H-pyridin-4-one (PubChem CID 130100050) has the molecular formula C6H4F3NO2 and a molecular weight of 179.10 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-fluoro-3-hydroxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)-5-fluoro-3-hydroxy-1H-pyridin-4-one
PubChem CID130100050
Molecular FormulaC6H4F3NO2
Molecular Weight179.10 g/mol
Exact Mass179.02
IUPAC Name2-(difluoromethyl)-5-fluoro-3-hydroxy-1H-pyridin-4-one
SMILESO=c1c(F)c[nH]c(C(F)F)c1O
InChIInChI=1S/C6H4F3NO2/c7-2-1-10-3(6(8)9)5(12)4(2)11/h1,6,12H,(H,10,11)
InChIKeyDPKOHNUDGRNVDX-UHFFFAOYSA-N
XLogP1.16
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.10
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Pyridinone,3-OH-2-Me
CID 323814
3,4-Dihydroxy-2-(trifluoromethyl)pyridine
CID 44192511
5-fluoro-3-hydroxy-2-methyl-1H-pyridin-4-one
CID 44192607
3-Fluoro-5-hydroxy-2-methyl-4(1H)-pyridinone
CID 55286604
2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
CID 67282122
2-(Difluoromethyl)-5-hydroxypyridin-4(1H)-one
CID 67282325
6-(Trifluoromethyl)pyridine-3,4-diol
CID 72212545
3-hydroxy-5-methyl-2-(trifluoromethyl)-1H-pyridin-4-one
CID 91450191
3-fluoro-5-hydroxy-2-propan-2-yl-1H-pyridin-4-one
CID 118460200
Trioxypicolin
CID 129645318
2-ethyl-3,5-dihydroxy-1H-pyridin-4-one
CID 134860852
2-(Difluoromethyl)-4,5-dihydroxy-3-methylpyridine
CID 118803429

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-fluoro-3-hydroxy-1H-pyridin-4-one?
The IUPAC name of 2-(difluoromethyl)-5-fluoro-3-hydroxy-1H-pyridin-4-one (CID 130100050) is 2-(difluoromethyl)-5-fluoro-3-hydroxy-1H-pyridin-4-one.
What is the SMILES notation for 2-(difluoromethyl)-5-fluoro-3-hydroxy-1H-pyridin-4-one?
The canonical SMILES for 2-(difluoromethyl)-5-fluoro-3-hydroxy-1H-pyridin-4-one is O=c1c(F)c[nH]c(C(F)F)c1O.
What is the InChIKey of 2-(difluoromethyl)-5-fluoro-3-hydroxy-1H-pyridin-4-one?
The InChIKey is DPKOHNUDGRNVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO2/c7-2-1-10-3(6(8)9)5(12)4(2)11/h1,6,12H,(H,10,11).
What are the key properties of 2-(difluoromethyl)-5-fluoro-3-hydroxy-1H-pyridin-4-one?
2-(difluoromethyl)-5-fluoro-3-hydroxy-1H-pyridin-4-one has a molecular weight of 179.10 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-fluoro-3-hydroxy-1H-pyridin-4-one is sourced from PubChem (CID 130100050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).