6-hydroxy-1-(2-hydroxyethyl)-4,5-dimethylpyridin-2-one

C9H13NO3 — CID 23338683

IUPAC6-hydroxy-1-(2-hydroxyethyl)-4,5-dimethylpyridin-2-one
SMILESCc1cc(=O)n(CCO)c(O)c1C
InChIInChI=1S/C9H13NO3/c1-6-5-8(12)10(3-4-11)9(13)7(6)2/h5,11,13H,3-4H2,1-2H3
InChIKeyFBDKXVNDVVSLFQ-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.16
Rot. Bonds2

About 6-hydroxy-1-(2-hydroxyethyl)-4,5-dimethylpyridin-2-one

6-hydroxy-1-(2-hydroxyethyl)-4,5-dimethylpyridin-2-one (PubChem CID 23338683) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 6-hydroxy-1-(2-hydroxyethyl)-4,5-dimethylpyridin-2-one.

Molecular Properties

Compound Name6-hydroxy-1-(2-hydroxyethyl)-4,5-dimethylpyridin-2-one
PubChem CID23338683
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name6-hydroxy-1-(2-hydroxyethyl)-4,5-dimethylpyridin-2-one
SMILESCc1cc(=O)n(CCO)c(O)c1C
InChIInChI=1S/C9H13NO3/c1-6-5-8(12)10(3-4-11)9(13)7(6)2/h5,11,13H,3-4H2,1-2H3
InChIKeyFBDKXVNDVVSLFQ-UHFFFAOYSA-N
XLogP0.16
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 ≤ 50.16
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)-4,5-dimethylpyridin-2-one?
The IUPAC name of 6-hydroxy-1-(2-hydroxyethyl)-4,5-dimethylpyridin-2-one (CID 23338683) is 6-hydroxy-1-(2-hydroxyethyl)-4,5-dimethylpyridin-2-one.
What is the SMILES notation for 6-hydroxy-1-(2-hydroxyethyl)-4,5-dimethylpyridin-2-one?
The canonical SMILES for 6-hydroxy-1-(2-hydroxyethyl)-4,5-dimethylpyridin-2-one is Cc1cc(=O)n(CCO)c(O)c1C.
What is the InChIKey of 6-hydroxy-1-(2-hydroxyethyl)-4,5-dimethylpyridin-2-one?
The InChIKey is FBDKXVNDVVSLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-6-5-8(12)10(3-4-11)9(13)7(6)2/h5,11,13H,3-4H2,1-2H3.
What are the key properties of 6-hydroxy-1-(2-hydroxyethyl)-4,5-dimethylpyridin-2-one?
6-hydroxy-1-(2-hydroxyethyl)-4,5-dimethylpyridin-2-one has a molecular weight of 183.21 g/mol, XLogP of 0.16, 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)-4,5-dimethylpyridin-2-one is sourced from PubChem (CID 23338683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).