2-(6-ethyl-5-hydroxy-4-oxo-3H-pyridin-3-yl)ethyl acetate

C11H15NO4 — CID 23198622

IUPAC2-(6-ethyl-5-hydroxy-4-oxo-3H-pyridin-3-yl)ethyl acetate
SMILESCCC1=C(O)C(=O)C(CCOC(C)=O)C=N1
InChIInChI=1S/C11H15NO4/c1-3-9-11(15)10(14)8(6-12-9)4-5-16-7(2)13/h6,8,15H,3-5H2,1-2H3
InChIKeyVQIQKWPTPCRSFI-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.39
Rot. Bonds4

About 2-(6-ethyl-5-hydroxy-4-oxo-3H-pyridin-3-yl)ethyl acetate

2-(6-ethyl-5-hydroxy-4-oxo-3H-pyridin-3-yl)ethyl acetate (PubChem CID 23198622) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-(6-ethyl-5-hydroxy-4-oxo-3H-pyridin-3-yl)ethyl acetate.

Molecular Properties

Compound Name2-(6-ethyl-5-hydroxy-4-oxo-3H-pyridin-3-yl)ethyl acetate
PubChem CID23198622
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-(6-ethyl-5-hydroxy-4-oxo-3H-pyridin-3-yl)ethyl acetate
SMILESCCC1=C(O)C(=O)C(CCOC(C)=O)C=N1
InChIInChI=1S/C11H15NO4/c1-3-9-11(15)10(14)8(6-12-9)4-5-16-7(2)13/h6,8,15H,3-5H2,1-2H3
InChIKeyVQIQKWPTPCRSFI-UHFFFAOYSA-N
XLogP1.39
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-5-hydroxy-4-oxo-3H-pyridin-3-yl)ethyl acetate?
The IUPAC name of 2-(6-ethyl-5-hydroxy-4-oxo-3H-pyridin-3-yl)ethyl acetate (CID 23198622) is 2-(6-ethyl-5-hydroxy-4-oxo-3H-pyridin-3-yl)ethyl acetate.
What is the SMILES notation for 2-(6-ethyl-5-hydroxy-4-oxo-3H-pyridin-3-yl)ethyl acetate?
The canonical SMILES for 2-(6-ethyl-5-hydroxy-4-oxo-3H-pyridin-3-yl)ethyl acetate is CCC1=C(O)C(=O)C(CCOC(C)=O)C=N1.
What is the InChIKey of 2-(6-ethyl-5-hydroxy-4-oxo-3H-pyridin-3-yl)ethyl acetate?
The InChIKey is VQIQKWPTPCRSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-3-9-11(15)10(14)8(6-12-9)4-5-16-7(2)13/h6,8,15H,3-5H2,1-2H3.
What are the key properties of 2-(6-ethyl-5-hydroxy-4-oxo-3H-pyridin-3-yl)ethyl acetate?
2-(6-ethyl-5-hydroxy-4-oxo-3H-pyridin-3-yl)ethyl acetate has a molecular weight of 225.24 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-5-hydroxy-4-oxo-3H-pyridin-3-yl)ethyl acetate is sourced from PubChem (CID 23198622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).