ethyl 2-(5-ethoxy-2-pyridinyl)acetate

C11H15NO3 — CID 86767455

IUPACethyl 2-(5-ethoxy-2-pyridinyl)acetate
SMILESCCOC(=O)Cc1ccc(OCC)cn1
InChIInChI=1S/C11H15NO3/c1-3-14-10-6-5-9(12-8-10)7-11(13)15-4-2/h5-6,8H,3-4,7H2,1-2H3
InChIKeySRYGSEVWSLXJDR-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.59
Rot. Bonds5

About ethyl 2-(5-ethoxy-2-pyridinyl)acetate

ethyl 2-(5-ethoxy-2-pyridinyl)acetate (PubChem CID 86767455) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is ethyl 2-(5-ethoxy-2-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-ethoxy-2-pyridinyl)acetate
PubChem CID86767455
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Nameethyl 2-(5-ethoxy-2-pyridinyl)acetate
SMILESCCOC(=O)Cc1ccc(OCC)cn1
InChIInChI=1S/C11H15NO3/c1-3-14-10-6-5-9(12-8-10)7-11(13)15-4-2/h5-6,8H,3-4,7H2,1-2H3
InChIKeySRYGSEVWSLXJDR-UHFFFAOYSA-N
XLogP1.59
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-ethoxy-2-pyridinyl)acetate?
The IUPAC name of ethyl 2-(5-ethoxy-2-pyridinyl)acetate (CID 86767455) is ethyl 2-(5-ethoxy-2-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-(5-ethoxy-2-pyridinyl)acetate?
The canonical SMILES for ethyl 2-(5-ethoxy-2-pyridinyl)acetate is CCOC(=O)Cc1ccc(OCC)cn1.
What is the InChIKey of ethyl 2-(5-ethoxy-2-pyridinyl)acetate?
The InChIKey is SRYGSEVWSLXJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-14-10-6-5-9(12-8-10)7-11(13)15-4-2/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of ethyl 2-(5-ethoxy-2-pyridinyl)acetate?
ethyl 2-(5-ethoxy-2-pyridinyl)acetate has a molecular weight of 209.24 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-ethoxy-2-pyridinyl)acetate is sourced from PubChem (CID 86767455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).