4-(1,1-difluoroethyl)-5-fluoro-6-hydroxy-2-oxo-1H-pyridine-3-carbonitrile

C8H5F3N2O2 — CID 129278734

IUPAC4-(1,1-difluoroethyl)-5-fluoro-6-hydroxy-2-oxo-1H-pyridine-3-carbonitrile
SMILESCC(F)(F)c1c(F)c(O)[nH]c(=O)c1C#N
InChIInChI=1S/C8H5F3N2O2/c1-8(10,11)4-3(2-12)6(14)13-7(15)5(4)9/h1H3,(H2,13,14,15)
InChIKeyPLDALFPXMLJGRS-UHFFFAOYSA-N
MW218.13 g/mol
LogP1.20
Rot. Bonds1

About 4-(1,1-difluoroethyl)-5-fluoro-6-hydroxy-2-oxo-1H-pyridine-3-carbonitrile

4-(1,1-difluoroethyl)-5-fluoro-6-hydroxy-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 129278734) has the molecular formula C8H5F3N2O2 and a molecular weight of 218.13 g/mol. Its IUPAC name is 4-(1,1-difluoroethyl)-5-fluoro-6-hydroxy-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(1,1-difluoroethyl)-5-fluoro-6-hydroxy-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID129278734
Molecular FormulaC8H5F3N2O2
Molecular Weight218.13 g/mol
Exact Mass218.03
IUPAC Name4-(1,1-difluoroethyl)-5-fluoro-6-hydroxy-2-oxo-1H-pyridine-3-carbonitrile
SMILESCC(F)(F)c1c(F)c(O)[nH]c(=O)c1C#N
InChIInChI=1S/C8H5F3N2O2/c1-8(10,11)4-3(2-12)6(14)13-7(15)5(4)9/h1H3,(H2,13,14,15)
InChIKeyPLDALFPXMLJGRS-UHFFFAOYSA-N
XLogP1.20
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.13
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethyl)-5-fluoro-6-hydroxy-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(1,1-difluoroethyl)-5-fluoro-6-hydroxy-2-oxo-1H-pyridine-3-carbonitrile (CID 129278734) is 4-(1,1-difluoroethyl)-5-fluoro-6-hydroxy-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(1,1-difluoroethyl)-5-fluoro-6-hydroxy-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(1,1-difluoroethyl)-5-fluoro-6-hydroxy-2-oxo-1H-pyridine-3-carbonitrile is CC(F)(F)c1c(F)c(O)[nH]c(=O)c1C#N.
What is the InChIKey of 4-(1,1-difluoroethyl)-5-fluoro-6-hydroxy-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is PLDALFPXMLJGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O2/c1-8(10,11)4-3(2-12)6(14)13-7(15)5(4)9/h1H3,(H2,13,14,15).
What are the key properties of 4-(1,1-difluoroethyl)-5-fluoro-6-hydroxy-2-oxo-1H-pyridine-3-carbonitrile?
4-(1,1-difluoroethyl)-5-fluoro-6-hydroxy-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 218.13 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethyl)-5-fluoro-6-hydroxy-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 129278734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).