4-hydroxy-1-(2-hydroxyethyl)-6-methylpyridin-2-one

C8H11NO3 — CID 54687828

IUPAC4-hydroxy-1-(2-hydroxyethyl)-6-methylpyridin-2-one
SMILESCc1cc(O)cc(=O)n1CCO
InChIInChI=1S/C8H11NO3/c1-6-4-7(11)5-8(12)9(6)2-3-10/h4-5,10-11H,2-3H2,1H3
InChIKeyGSASOQJYEYUIBX-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.15
Rot. Bonds2

About 4-hydroxy-1-(2-hydroxyethyl)-6-methylpyridin-2-one

4-hydroxy-1-(2-hydroxyethyl)-6-methylpyridin-2-one (PubChem CID 54687828) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-hydroxy-1-(2-hydroxyethyl)-6-methylpyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-(2-hydroxyethyl)-6-methylpyridin-2-one
PubChem CID54687828
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name4-hydroxy-1-(2-hydroxyethyl)-6-methylpyridin-2-one
SMILESCc1cc(O)cc(=O)n1CCO
InChIInChI=1S/C8H11NO3/c1-6-4-7(11)5-8(12)9(6)2-3-10/h4-5,10-11H,2-3H2,1H3
InChIKeyGSASOQJYEYUIBX-UHFFFAOYSA-N
XLogP-0.15
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-hydroxyethyl)-6-methylpyridin-2-one?
The IUPAC name of 4-hydroxy-1-(2-hydroxyethyl)-6-methylpyridin-2-one (CID 54687828) is 4-hydroxy-1-(2-hydroxyethyl)-6-methylpyridin-2-one.
What is the SMILES notation for 4-hydroxy-1-(2-hydroxyethyl)-6-methylpyridin-2-one?
The canonical SMILES for 4-hydroxy-1-(2-hydroxyethyl)-6-methylpyridin-2-one is Cc1cc(O)cc(=O)n1CCO.
What is the InChIKey of 4-hydroxy-1-(2-hydroxyethyl)-6-methylpyridin-2-one?
The InChIKey is GSASOQJYEYUIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-6-4-7(11)5-8(12)9(6)2-3-10/h4-5,10-11H,2-3H2,1H3.
What are the key properties of 4-hydroxy-1-(2-hydroxyethyl)-6-methylpyridin-2-one?
4-hydroxy-1-(2-hydroxyethyl)-6-methylpyridin-2-one has a molecular weight of 169.18 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-hydroxyethyl)-6-methylpyridin-2-one is sourced from PubChem (CID 54687828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).