Ethyl 2-pyridylacetate

C9H11NO2 — CID 75960

IUPACethyl 2-pyridin-2-ylacetate
SMILESCCOC(=O)CC1=CC=CC=N1
InChIInChI=1S/C9H11NO2/c1-2-12-9(11)7-8-5-3-4-6-10-8/h3-6H,2,7H2,1H3
InChIKeyIUDKTVXSXWAKJO-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.70
Rot. Bonds4

About Ethyl 2-pyridylacetate

Ethyl 2-pyridylacetate (PubChem CID 75960) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is ethyl 2-pyridin-2-ylacetate.

Molecular Properties

Compound NameEthyl 2-pyridylacetate
PubChem CID75960
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Nameethyl 2-pyridin-2-ylacetate
SMILESCCOC(=O)CC1=CC=CC=N1
InChIInChI=1S/C9H11NO2/c1-2-12-9(11)7-8-5-3-4-6-10-8/h3-6H,2,7H2,1H3
InChIKeyIUDKTVXSXWAKJO-UHFFFAOYSA-N
XLogP0.70
TPSA39.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity147

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of Ethyl 2-pyridylacetate?
The IUPAC name of Ethyl 2-pyridylacetate (CID 75960) is ethyl 2-pyridin-2-ylacetate.
What is the SMILES notation for Ethyl 2-pyridylacetate?
The canonical SMILES for Ethyl 2-pyridylacetate is CCOC(=O)CC1=CC=CC=N1.
What is the InChIKey of Ethyl 2-pyridylacetate?
The InChIKey is IUDKTVXSXWAKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-2-12-9(11)7-8-5-3-4-6-10-8/h3-6H,2,7H2,1H3.
What are the key properties of Ethyl 2-pyridylacetate?
Ethyl 2-pyridylacetate has a molecular weight of 165.19 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Ethyl 2-pyridylacetate is sourced from PubChem (CID 75960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).