ethyl 2-pyridin-4-ylacetate

C9H11NO2 — CID 736321

IUPACethyl 2-pyridin-4-ylacetate
SMILESCCOC(=O)Cc1ccncc1
InChIInChI=1S/C9H11NO2/c1-2-12-9(11)7-8-3-5-10-6-4-8/h3-6H,2,7H2,1H3
InChIKeyQVLJLWHOILVHJJ-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.19
Rot. Bonds3

About ethyl 2-pyridin-4-ylacetate

ethyl 2-pyridin-4-ylacetate (PubChem CID 736321) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is ethyl 2-pyridin-4-ylacetate.

Molecular Properties

Compound Nameethyl 2-pyridin-4-ylacetate
PubChem CID736321
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Nameethyl 2-pyridin-4-ylacetate
SMILESCCOC(=O)Cc1ccncc1
InChIInChI=1S/C9H11NO2/c1-2-12-9(11)7-8-3-5-10-6-4-8/h3-6H,2,7H2,1H3
InChIKeyQVLJLWHOILVHJJ-UHFFFAOYSA-N
XLogP1.19
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-pyridin-4-ylacetate?
The IUPAC name of ethyl 2-pyridin-4-ylacetate (CID 736321) is ethyl 2-pyridin-4-ylacetate.
What is the SMILES notation for ethyl 2-pyridin-4-ylacetate?
The canonical SMILES for ethyl 2-pyridin-4-ylacetate is CCOC(=O)Cc1ccncc1.
What is the InChIKey of ethyl 2-pyridin-4-ylacetate?
The InChIKey is QVLJLWHOILVHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-2-12-9(11)7-8-3-5-10-6-4-8/h3-6H,2,7H2,1H3.
What are the key properties of ethyl 2-pyridin-4-ylacetate?
ethyl 2-pyridin-4-ylacetate has a molecular weight of 165.19 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-pyridin-4-ylacetate is sourced from PubChem (CID 736321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).