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

C9H13NO3 — CID 23378015

IUPAC1-ethyl-3-hydroxy-2-(hydroxymethyl)-6-methylpyridin-4-one
SMILESCCn1c(C)cc(=O)c(O)c1CO
InChIInChI=1S/C9H13NO3/c1-3-10-6(2)4-8(12)9(13)7(10)5-11/h4,11,13H,3,5H2,1-2H3
InChIKeyCXUMFNFPQYKODT-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.37
Rot. Bonds2

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

1-ethyl-3-hydroxy-2-(hydroxymethyl)-6-methylpyridin-4-one (PubChem CID 23378015) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-ethyl-3-hydroxy-2-(hydroxymethyl)-6-methylpyridin-4-one.

Molecular Properties

Compound Name1-ethyl-3-hydroxy-2-(hydroxymethyl)-6-methylpyridin-4-one
PubChem CID23378015
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name1-ethyl-3-hydroxy-2-(hydroxymethyl)-6-methylpyridin-4-one
SMILESCCn1c(C)cc(=O)c(O)c1CO
InChIInChI=1S/C9H13NO3/c1-3-10-6(2)4-8(12)9(13)7(10)5-11/h4,11,13H,3,5H2,1-2H3
InChIKeyCXUMFNFPQYKODT-UHFFFAOYSA-N
XLogP0.37
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-hydroxy-2-(hydroxymethyl)-6-methylpyridin-4-one?
The IUPAC name of 1-ethyl-3-hydroxy-2-(hydroxymethyl)-6-methylpyridin-4-one (CID 23378015) is 1-ethyl-3-hydroxy-2-(hydroxymethyl)-6-methylpyridin-4-one.
What is the SMILES notation for 1-ethyl-3-hydroxy-2-(hydroxymethyl)-6-methylpyridin-4-one?
The canonical SMILES for 1-ethyl-3-hydroxy-2-(hydroxymethyl)-6-methylpyridin-4-one is CCn1c(C)cc(=O)c(O)c1CO.
What is the InChIKey of 1-ethyl-3-hydroxy-2-(hydroxymethyl)-6-methylpyridin-4-one?
The InChIKey is CXUMFNFPQYKODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-3-10-6(2)4-8(12)9(13)7(10)5-11/h4,11,13H,3,5H2,1-2H3.
What are the key properties of 1-ethyl-3-hydroxy-2-(hydroxymethyl)-6-methylpyridin-4-one?
1-ethyl-3-hydroxy-2-(hydroxymethyl)-6-methylpyridin-4-one has a molecular weight of 183.21 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-hydroxy-2-(hydroxymethyl)-6-methylpyridin-4-one is sourced from PubChem (CID 23378015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).