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

C8H11NO3 — CID 21264862

IUPAC6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one
SMILESCc1cc(O)n(CCO)c(=O)c1
InChIInChI=1S/C8H11NO3/c1-6-4-7(11)9(2-3-10)8(12)5-6/h4-5,10-11H,2-3H2,1H3
InChIKeyDGGOBYBYRVEYEJ-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.15
Rot. Bonds2

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

6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one (PubChem CID 21264862) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one.

Molecular Properties

Compound Name6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one
PubChem CID21264862
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one
SMILESCc1cc(O)n(CCO)c(=O)c1
InChIInChI=1S/C8H11NO3/c1-6-4-7(11)9(2-3-10)8(12)5-6/h4-5,10-11H,2-3H2,1H3
InChIKeyDGGOBYBYRVEYEJ-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 6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one?
The IUPAC name of 6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one (CID 21264862) is 6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one.
What is the SMILES notation for 6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one?
The canonical SMILES for 6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one is Cc1cc(O)n(CCO)c(=O)c1.
What is the InChIKey of 6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one?
The InChIKey is DGGOBYBYRVEYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-6-4-7(11)9(2-3-10)8(12)5-6/h4-5,10-11H,2-3H2,1H3.
What are the key properties of 6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one?
6-hydroxy-1-(2-hydroxyethyl)-4-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 6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one is sourced from PubChem (CID 21264862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).