3-ethyl-5-hydroxy-6-(2-hydroxyethyl)-3H-pyridin-4-one

C9H13NO3 — CID 70282790

IUPAC3-ethyl-5-hydroxy-6-(2-hydroxyethyl)-3H-pyridin-4-one
SMILESCCC1C=NC(CCO)=C(O)C1=O
InChIInChI=1S/C9H13NO3/c1-2-6-5-10-7(3-4-11)9(13)8(6)12/h5-6,11,13H,2-4H2,1H3
InChIKeyHUKCJGRFVFCPAE-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.82
Rot. Bonds3

About 3-ethyl-5-hydroxy-6-(2-hydroxyethyl)-3H-pyridin-4-one

3-ethyl-5-hydroxy-6-(2-hydroxyethyl)-3H-pyridin-4-one (PubChem CID 70282790) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-ethyl-5-hydroxy-6-(2-hydroxyethyl)-3H-pyridin-4-one.

Molecular Properties

Compound Name3-ethyl-5-hydroxy-6-(2-hydroxyethyl)-3H-pyridin-4-one
PubChem CID70282790
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name3-ethyl-5-hydroxy-6-(2-hydroxyethyl)-3H-pyridin-4-one
SMILESCCC1C=NC(CCO)=C(O)C1=O
InChIInChI=1S/C9H13NO3/c1-2-6-5-10-7(3-4-11)9(13)8(6)12/h5-6,11,13H,2-4H2,1H3
InChIKeyHUKCJGRFVFCPAE-UHFFFAOYSA-N
XLogP0.82
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-hydroxy-6-(2-hydroxyethyl)-3H-pyridin-4-one?
The IUPAC name of 3-ethyl-5-hydroxy-6-(2-hydroxyethyl)-3H-pyridin-4-one (CID 70282790) is 3-ethyl-5-hydroxy-6-(2-hydroxyethyl)-3H-pyridin-4-one.
What is the SMILES notation for 3-ethyl-5-hydroxy-6-(2-hydroxyethyl)-3H-pyridin-4-one?
The canonical SMILES for 3-ethyl-5-hydroxy-6-(2-hydroxyethyl)-3H-pyridin-4-one is CCC1C=NC(CCO)=C(O)C1=O.
What is the InChIKey of 3-ethyl-5-hydroxy-6-(2-hydroxyethyl)-3H-pyridin-4-one?
The InChIKey is HUKCJGRFVFCPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-2-6-5-10-7(3-4-11)9(13)8(6)12/h5-6,11,13H,2-4H2,1H3.
What are the key properties of 3-ethyl-5-hydroxy-6-(2-hydroxyethyl)-3H-pyridin-4-one?
3-ethyl-5-hydroxy-6-(2-hydroxyethyl)-3H-pyridin-4-one has a molecular weight of 183.21 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-hydroxy-6-(2-hydroxyethyl)-3H-pyridin-4-one is sourced from PubChem (CID 70282790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).