2-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)ethyl acetate

C11H15NO4 — CID 10775554

IUPAC2-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)ethyl acetate
SMILESCCc1c(O)c(=O)ccn1CCOC(C)=O
InChIInChI=1S/C11H15NO4/c1-3-9-11(15)10(14)4-5-12(9)6-7-16-8(2)13/h4-5,15H,3,6-7H2,1-2H3
InChIKeyLOTKCOGLOVTZJK-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.68
Rot. Bonds4

About 2-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)ethyl acetate

2-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)ethyl acetate (PubChem CID 10775554) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)ethyl acetate.

Molecular Properties

Compound Name2-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)ethyl acetate
PubChem CID10775554
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)ethyl acetate
SMILESCCc1c(O)c(=O)ccn1CCOC(C)=O
InChIInChI=1S/C11H15NO4/c1-3-9-11(15)10(14)4-5-12(9)6-7-16-8(2)13/h4-5,15H,3,6-7H2,1-2H3
InChIKeyLOTKCOGLOVTZJK-UHFFFAOYSA-N
XLogP0.68
TPSA68.53 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 ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)ethyl acetate?
The IUPAC name of 2-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)ethyl acetate (CID 10775554) is 2-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)ethyl acetate.
What is the SMILES notation for 2-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)ethyl acetate?
The canonical SMILES for 2-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)ethyl acetate is CCc1c(O)c(=O)ccn1CCOC(C)=O.
What is the InChIKey of 2-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)ethyl acetate?
The InChIKey is LOTKCOGLOVTZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-3-9-11(15)10(14)4-5-12(9)6-7-16-8(2)13/h4-5,15H,3,6-7H2,1-2H3.
What are the key properties of 2-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)ethyl acetate?
2-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)ethyl acetate has a molecular weight of 225.24 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)ethyl acetate is sourced from PubChem (CID 10775554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).