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

C6H4F3NO2 — CID 130100053

IUPAC6-(difluoromethyl)-2-fluoro-3-hydroxy-1H-pyridin-4-one
SMILESO=c1cc(C(F)F)[nH]c(F)c1O
InChIInChI=1S/C6H4F3NO2/c7-5(8)2-1-3(11)4(12)6(9)10-2/h1,5,12H,(H,10,11)
InChIKeyXAQGHMGEUVUNRC-UHFFFAOYSA-N
MW179.10 g/mol
LogP1.16
Rot. Bonds1

About 6-(difluoromethyl)-2-fluoro-3-hydroxy-1H-pyridin-4-one

6-(difluoromethyl)-2-fluoro-3-hydroxy-1H-pyridin-4-one (PubChem CID 130100053) has the molecular formula C6H4F3NO2 and a molecular weight of 179.10 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-fluoro-3-hydroxy-1H-pyridin-4-one.

Molecular Properties

Compound Name6-(difluoromethyl)-2-fluoro-3-hydroxy-1H-pyridin-4-one
PubChem CID130100053
Molecular FormulaC6H4F3NO2
Molecular Weight179.10 g/mol
Exact Mass179.02
IUPAC Name6-(difluoromethyl)-2-fluoro-3-hydroxy-1H-pyridin-4-one
SMILESO=c1cc(C(F)F)[nH]c(F)c1O
InChIInChI=1S/C6H4F3NO2/c7-5(8)2-1-3(11)4(12)6(9)10-2/h1,5,12H,(H,10,11)
InChIKeyXAQGHMGEUVUNRC-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-fluoro-3-hydroxy-1H-pyridin-4-one?
The IUPAC name of 6-(difluoromethyl)-2-fluoro-3-hydroxy-1H-pyridin-4-one (CID 130100053) is 6-(difluoromethyl)-2-fluoro-3-hydroxy-1H-pyridin-4-one.
What is the SMILES notation for 6-(difluoromethyl)-2-fluoro-3-hydroxy-1H-pyridin-4-one?
The canonical SMILES for 6-(difluoromethyl)-2-fluoro-3-hydroxy-1H-pyridin-4-one is O=c1cc(C(F)F)[nH]c(F)c1O.
What is the InChIKey of 6-(difluoromethyl)-2-fluoro-3-hydroxy-1H-pyridin-4-one?
The InChIKey is XAQGHMGEUVUNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO2/c7-5(8)2-1-3(11)4(12)6(9)10-2/h1,5,12H,(H,10,11).
What are the key properties of 6-(difluoromethyl)-2-fluoro-3-hydroxy-1H-pyridin-4-one?
6-(difluoromethyl)-2-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 6-(difluoromethyl)-2-fluoro-3-hydroxy-1H-pyridin-4-one is sourced from PubChem (CID 130100053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).