6-(difluoromethyl)-2-ethyl-3-hydroxy-1-methylpyridin-4-one

C9H11F2NO2 — CID 25018906

IUPAC6-(difluoromethyl)-2-ethyl-3-hydroxy-1-methylpyridin-4-one
SMILESCCc1c(O)c(=O)cc(C(F)F)n1C
InChIInChI=1S/C9H11F2NO2/c1-3-5-8(14)7(13)4-6(9(10)11)12(5)2/h4,9,14H,3H2,1-2H3
InChIKeyKYLBSQGKXPKQSD-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.59
Rot. Bonds2

About 6-(difluoromethyl)-2-ethyl-3-hydroxy-1-methylpyridin-4-one

6-(difluoromethyl)-2-ethyl-3-hydroxy-1-methylpyridin-4-one (PubChem CID 25018906) has the molecular formula C9H11F2NO2 and a molecular weight of 203.19 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-ethyl-3-hydroxy-1-methylpyridin-4-one.

Molecular Properties

Compound Name6-(difluoromethyl)-2-ethyl-3-hydroxy-1-methylpyridin-4-one
PubChem CID25018906
Molecular FormulaC9H11F2NO2
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name6-(difluoromethyl)-2-ethyl-3-hydroxy-1-methylpyridin-4-one
SMILESCCc1c(O)c(=O)cc(C(F)F)n1C
InChIInChI=1S/C9H11F2NO2/c1-3-5-8(14)7(13)4-6(9(10)11)12(5)2/h4,9,14H,3H2,1-2H3
InChIKeyKYLBSQGKXPKQSD-UHFFFAOYSA-N
XLogP1.59
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-ethyl-3-hydroxy-1-methylpyridin-4-one?
The IUPAC name of 6-(difluoromethyl)-2-ethyl-3-hydroxy-1-methylpyridin-4-one (CID 25018906) is 6-(difluoromethyl)-2-ethyl-3-hydroxy-1-methylpyridin-4-one.
What is the SMILES notation for 6-(difluoromethyl)-2-ethyl-3-hydroxy-1-methylpyridin-4-one?
The canonical SMILES for 6-(difluoromethyl)-2-ethyl-3-hydroxy-1-methylpyridin-4-one is CCc1c(O)c(=O)cc(C(F)F)n1C.
What is the InChIKey of 6-(difluoromethyl)-2-ethyl-3-hydroxy-1-methylpyridin-4-one?
The InChIKey is KYLBSQGKXPKQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO2/c1-3-5-8(14)7(13)4-6(9(10)11)12(5)2/h4,9,14H,3H2,1-2H3.
What are the key properties of 6-(difluoromethyl)-2-ethyl-3-hydroxy-1-methylpyridin-4-one?
6-(difluoromethyl)-2-ethyl-3-hydroxy-1-methylpyridin-4-one has a molecular weight of 203.19 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-2-ethyl-3-hydroxy-1-methylpyridin-4-one is sourced from PubChem (CID 25018906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).