2-(2,2-difluoroethyl)-3-hydroxy-1-methylpyridin-4-one

C8H9F2NO2 — CID 86672814

IUPAC2-(2,2-difluoroethyl)-3-hydroxy-1-methylpyridin-4-one
SMILESCn1ccc(=O)c(O)c1CC(F)F
InChIInChI=1S/C8H9F2NO2/c1-11-3-2-6(12)8(13)5(11)4-7(9)10/h2-3,7,13H,4H2,1H3
InChIKeyDFLFKWHYKUBDRE-UHFFFAOYSA-N
MW189.16 g/mol
LogP0.90
Rot. Bonds2

About 2-(2,2-difluoroethyl)-3-hydroxy-1-methylpyridin-4-one

2-(2,2-difluoroethyl)-3-hydroxy-1-methylpyridin-4-one (PubChem CID 86672814) has the molecular formula C8H9F2NO2 and a molecular weight of 189.16 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)-3-hydroxy-1-methylpyridin-4-one.

Molecular Properties

Compound Name2-(2,2-difluoroethyl)-3-hydroxy-1-methylpyridin-4-one
PubChem CID86672814
Molecular FormulaC8H9F2NO2
Molecular Weight189.16 g/mol
Exact Mass189.06
IUPAC Name2-(2,2-difluoroethyl)-3-hydroxy-1-methylpyridin-4-one
SMILESCn1ccc(=O)c(O)c1CC(F)F
InChIInChI=1S/C8H9F2NO2/c1-11-3-2-6(12)8(13)5(11)4-7(9)10/h2-3,7,13H,4H2,1H3
InChIKeyDFLFKWHYKUBDRE-UHFFFAOYSA-N
XLogP0.90
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.16
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethyl)-3-hydroxy-1-methylpyridin-4-one?
The IUPAC name of 2-(2,2-difluoroethyl)-3-hydroxy-1-methylpyridin-4-one (CID 86672814) is 2-(2,2-difluoroethyl)-3-hydroxy-1-methylpyridin-4-one.
What is the SMILES notation for 2-(2,2-difluoroethyl)-3-hydroxy-1-methylpyridin-4-one?
The canonical SMILES for 2-(2,2-difluoroethyl)-3-hydroxy-1-methylpyridin-4-one is Cn1ccc(=O)c(O)c1CC(F)F.
What is the InChIKey of 2-(2,2-difluoroethyl)-3-hydroxy-1-methylpyridin-4-one?
The InChIKey is DFLFKWHYKUBDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO2/c1-11-3-2-6(12)8(13)5(11)4-7(9)10/h2-3,7,13H,4H2,1H3.
What are the key properties of 2-(2,2-difluoroethyl)-3-hydroxy-1-methylpyridin-4-one?
2-(2,2-difluoroethyl)-3-hydroxy-1-methylpyridin-4-one has a molecular weight of 189.16 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethyl)-3-hydroxy-1-methylpyridin-4-one is sourced from PubChem (CID 86672814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).