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

C8H11NO3 — CID 89114546

IUPAC3-hydroxy-2-(1-hydroxyethyl)-1-methylpyridin-4-one
SMILESCC(O)c1c(O)c(=O)ccn1C
InChIInChI=1S/C8H11NO3/c1-5(10)7-8(12)6(11)3-4-9(7)2/h3-5,10,12H,1-2H3
InChIKeyIXOLHRNKQUGWPH-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.14
Rot. Bonds1

About 3-hydroxy-2-(1-hydroxyethyl)-1-methylpyridin-4-one

3-hydroxy-2-(1-hydroxyethyl)-1-methylpyridin-4-one (PubChem CID 89114546) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 3-hydroxy-2-(1-hydroxyethyl)-1-methylpyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-(1-hydroxyethyl)-1-methylpyridin-4-one
PubChem CID89114546
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name3-hydroxy-2-(1-hydroxyethyl)-1-methylpyridin-4-one
SMILESCC(O)c1c(O)c(=O)ccn1C
InChIInChI=1S/C8H11NO3/c1-5(10)7-8(12)6(11)3-4-9(7)2/h3-5,10,12H,1-2H3
InChIKeyIXOLHRNKQUGWPH-UHFFFAOYSA-N
XLogP0.14
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(1-hydroxyethyl)-1-methylpyridin-4-one?
The IUPAC name of 3-hydroxy-2-(1-hydroxyethyl)-1-methylpyridin-4-one (CID 89114546) is 3-hydroxy-2-(1-hydroxyethyl)-1-methylpyridin-4-one.
What is the SMILES notation for 3-hydroxy-2-(1-hydroxyethyl)-1-methylpyridin-4-one?
The canonical SMILES for 3-hydroxy-2-(1-hydroxyethyl)-1-methylpyridin-4-one is CC(O)c1c(O)c(=O)ccn1C.
What is the InChIKey of 3-hydroxy-2-(1-hydroxyethyl)-1-methylpyridin-4-one?
The InChIKey is IXOLHRNKQUGWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-5(10)7-8(12)6(11)3-4-9(7)2/h3-5,10,12H,1-2H3.
What are the key properties of 3-hydroxy-2-(1-hydroxyethyl)-1-methylpyridin-4-one?
3-hydroxy-2-(1-hydroxyethyl)-1-methylpyridin-4-one has a molecular weight of 169.18 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(1-hydroxyethyl)-1-methylpyridin-4-one is sourced from PubChem (CID 89114546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).