2-(difluoromethyl)-3-hydroxy-1,6-dimethylpyridin-4-one

C8H9F2NO2 — CID 25018651

IUPAC2-(difluoromethyl)-3-hydroxy-1,6-dimethylpyridin-4-one
SMILESCc1cc(=O)c(O)c(C(F)F)n1C
InChIInChI=1S/C8H9F2NO2/c1-4-3-5(12)7(13)6(8(9)10)11(4)2/h3,8,13H,1-2H3
InChIKeyLEOHOMVAGKDJLG-UHFFFAOYSA-N
MW189.16 g/mol
LogP1.34
Rot. Bonds1

About 2-(difluoromethyl)-3-hydroxy-1,6-dimethylpyridin-4-one

2-(difluoromethyl)-3-hydroxy-1,6-dimethylpyridin-4-one (PubChem CID 25018651) has the molecular formula C8H9F2NO2 and a molecular weight of 189.16 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-hydroxy-1,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)-3-hydroxy-1,6-dimethylpyridin-4-one
PubChem CID25018651
Molecular FormulaC8H9F2NO2
Molecular Weight189.16 g/mol
Exact Mass189.06
IUPAC Name2-(difluoromethyl)-3-hydroxy-1,6-dimethylpyridin-4-one
SMILESCc1cc(=O)c(O)c(C(F)F)n1C
InChIInChI=1S/C8H9F2NO2/c1-4-3-5(12)7(13)6(8(9)10)11(4)2/h3,8,13H,1-2H3
InChIKeyLEOHOMVAGKDJLG-UHFFFAOYSA-N
XLogP1.34
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.16
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-hydroxy-1,6-dimethylpyridin-4-one?
The IUPAC name of 2-(difluoromethyl)-3-hydroxy-1,6-dimethylpyridin-4-one (CID 25018651) is 2-(difluoromethyl)-3-hydroxy-1,6-dimethylpyridin-4-one.
What is the SMILES notation for 2-(difluoromethyl)-3-hydroxy-1,6-dimethylpyridin-4-one?
The canonical SMILES for 2-(difluoromethyl)-3-hydroxy-1,6-dimethylpyridin-4-one is Cc1cc(=O)c(O)c(C(F)F)n1C.
What is the InChIKey of 2-(difluoromethyl)-3-hydroxy-1,6-dimethylpyridin-4-one?
The InChIKey is LEOHOMVAGKDJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO2/c1-4-3-5(12)7(13)6(8(9)10)11(4)2/h3,8,13H,1-2H3.
What are the key properties of 2-(difluoromethyl)-3-hydroxy-1,6-dimethylpyridin-4-one?
2-(difluoromethyl)-3-hydroxy-1,6-dimethylpyridin-4-one has a molecular weight of 189.16 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-hydroxy-1,6-dimethylpyridin-4-one is sourced from PubChem (CID 25018651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).