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

C6H4F3NO2 — CID 130100040

IUPAC5-(difluoromethyl)-3-fluoro-4-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)F)c(O)c1F
InChIInChI=1S/C6H4F3NO2/c7-3-4(11)2(5(8)9)1-10-6(3)12/h1,5H,(H2,10,11,12)
InChIKeyRJVVCGRMQZLTQR-UHFFFAOYSA-N
MW179.10 g/mol
LogP1.16
Rot. Bonds1

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

5-(difluoromethyl)-3-fluoro-4-hydroxy-1H-pyridin-2-one (PubChem CID 130100040) has the molecular formula C6H4F3NO2 and a molecular weight of 179.10 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-fluoro-4-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(difluoromethyl)-3-fluoro-4-hydroxy-1H-pyridin-2-one
PubChem CID130100040
Molecular FormulaC6H4F3NO2
Molecular Weight179.10 g/mol
Exact Mass179.02
IUPAC Name5-(difluoromethyl)-3-fluoro-4-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)F)c(O)c1F
InChIInChI=1S/C6H4F3NO2/c7-3-4(11)2(5(8)9)1-10-6(3)12/h1,5H,(H2,10,11,12)
InChIKeyRJVVCGRMQZLTQR-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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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-fluoro-4-hydroxy-1H-pyridin-2-one?
The IUPAC name of 5-(difluoromethyl)-3-fluoro-4-hydroxy-1H-pyridin-2-one (CID 130100040) is 5-(difluoromethyl)-3-fluoro-4-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 5-(difluoromethyl)-3-fluoro-4-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 5-(difluoromethyl)-3-fluoro-4-hydroxy-1H-pyridin-2-one is O=c1[nH]cc(C(F)F)c(O)c1F.
What is the InChIKey of 5-(difluoromethyl)-3-fluoro-4-hydroxy-1H-pyridin-2-one?
The InChIKey is RJVVCGRMQZLTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO2/c7-3-4(11)2(5(8)9)1-10-6(3)12/h1,5H,(H2,10,11,12).
What are the key properties of 5-(difluoromethyl)-3-fluoro-4-hydroxy-1H-pyridin-2-one?
5-(difluoromethyl)-3-fluoro-4-hydroxy-1H-pyridin-2-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 5-(difluoromethyl)-3-fluoro-4-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 130100040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).