3-hydroxy-2-(1-hydroxyethyl)-1,6-dimethylpyridin-4-one

C9H13NO3 — CID 23378020

IUPAC3-hydroxy-2-(1-hydroxyethyl)-1,6-dimethylpyridin-4-one
SMILESCc1cc(=O)c(O)c(C(C)O)n1C
InChIInChI=1S/C9H13NO3/c1-5-4-7(12)9(13)8(6(2)11)10(5)3/h4,6,11,13H,1-3H3
InChIKeySGIFFAVFYZQBBU-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.45
Rot. Bonds1

About 3-hydroxy-2-(1-hydroxyethyl)-1,6-dimethylpyridin-4-one

3-hydroxy-2-(1-hydroxyethyl)-1,6-dimethylpyridin-4-one (PubChem CID 23378020) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-hydroxy-2-(1-hydroxyethyl)-1,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-(1-hydroxyethyl)-1,6-dimethylpyridin-4-one
PubChem CID23378020
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name3-hydroxy-2-(1-hydroxyethyl)-1,6-dimethylpyridin-4-one
SMILESCc1cc(=O)c(O)c(C(C)O)n1C
InChIInChI=1S/C9H13NO3/c1-5-4-7(12)9(13)8(6(2)11)10(5)3/h4,6,11,13H,1-3H3
InChIKeySGIFFAVFYZQBBU-UHFFFAOYSA-N
XLogP0.45
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.45
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)-1,6-dimethylpyridin-4-one?
The IUPAC name of 3-hydroxy-2-(1-hydroxyethyl)-1,6-dimethylpyridin-4-one (CID 23378020) is 3-hydroxy-2-(1-hydroxyethyl)-1,6-dimethylpyridin-4-one.
What is the SMILES notation for 3-hydroxy-2-(1-hydroxyethyl)-1,6-dimethylpyridin-4-one?
The canonical SMILES for 3-hydroxy-2-(1-hydroxyethyl)-1,6-dimethylpyridin-4-one is Cc1cc(=O)c(O)c(C(C)O)n1C.
What is the InChIKey of 3-hydroxy-2-(1-hydroxyethyl)-1,6-dimethylpyridin-4-one?
The InChIKey is SGIFFAVFYZQBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-5-4-7(12)9(13)8(6(2)11)10(5)3/h4,6,11,13H,1-3H3.
What are the key properties of 3-hydroxy-2-(1-hydroxyethyl)-1,6-dimethylpyridin-4-one?
3-hydroxy-2-(1-hydroxyethyl)-1,6-dimethylpyridin-4-one has a molecular weight of 183.21 g/mol, XLogP of 0.45, 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)-1,6-dimethylpyridin-4-one is sourced from PubChem (CID 23378020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).