ethyl 2-[[3-cyano-4,6-bis(furan-2-yl)-2-pyridinyl]oxy]acetate

C18H14N2O5 — CID 2816059

IUPACethyl 2-[[3-cyano-4,6-bis(furan-2-yl)-2-pyridinyl]oxy]acetate
SMILESCCOC(=O)COc1nc(-c2ccco2)cc(-c2ccco2)c1C#N
InChIInChI=1S/C18H14N2O5/c1-2-22-17(21)11-25-18-13(10-19)12(15-5-3-7-23-15)9-14(20-18)16-6-4-8-24-16/h3-9H,2,11H2,1H3
InChIKeyGKHZPDMBUPZYJE-UHFFFAOYSA-N
MW338.32 g/mol
LogP3.42
Rot. Bonds6

About ethyl 2-[[3-cyano-4,6-bis(furan-2-yl)-2-pyridinyl]oxy]acetate

ethyl 2-[[3-cyano-4,6-bis(furan-2-yl)-2-pyridinyl]oxy]acetate (PubChem CID 2816059) has the molecular formula C18H14N2O5 and a molecular weight of 338.32 g/mol. Its IUPAC name is ethyl 2-[[3-cyano-4,6-bis(furan-2-yl)-2-pyridinyl]oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-cyano-4,6-bis(furan-2-yl)-2-pyridinyl]oxy]acetate
PubChem CID2816059
Molecular FormulaC18H14N2O5
Molecular Weight338.32 g/mol
Exact Mass338.09
IUPAC Nameethyl 2-[[3-cyano-4,6-bis(furan-2-yl)-2-pyridinyl]oxy]acetate
SMILESCCOC(=O)COc1nc(-c2ccco2)cc(-c2ccco2)c1C#N
InChIInChI=1S/C18H14N2O5/c1-2-22-17(21)11-25-18-13(10-19)12(15-5-3-7-23-15)9-14(20-18)16-6-4-8-24-16/h3-9H,2,11H2,1H3
InChIKeyGKHZPDMBUPZYJE-UHFFFAOYSA-N
XLogP3.42
TPSA98.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-cyano-4,6-bis(furan-2-yl)-2-pyridinyl]oxy]acetate?
The IUPAC name of ethyl 2-[[3-cyano-4,6-bis(furan-2-yl)-2-pyridinyl]oxy]acetate (CID 2816059) is ethyl 2-[[3-cyano-4,6-bis(furan-2-yl)-2-pyridinyl]oxy]acetate.
What is the SMILES notation for ethyl 2-[[3-cyano-4,6-bis(furan-2-yl)-2-pyridinyl]oxy]acetate?
The canonical SMILES for ethyl 2-[[3-cyano-4,6-bis(furan-2-yl)-2-pyridinyl]oxy]acetate is CCOC(=O)COc1nc(-c2ccco2)cc(-c2ccco2)c1C#N.
What is the InChIKey of ethyl 2-[[3-cyano-4,6-bis(furan-2-yl)-2-pyridinyl]oxy]acetate?
The InChIKey is GKHZPDMBUPZYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O5/c1-2-22-17(21)11-25-18-13(10-19)12(15-5-3-7-23-15)9-14(20-18)16-6-4-8-24-16/h3-9H,2,11H2,1H3.
What are the key properties of ethyl 2-[[3-cyano-4,6-bis(furan-2-yl)-2-pyridinyl]oxy]acetate?
ethyl 2-[[3-cyano-4,6-bis(furan-2-yl)-2-pyridinyl]oxy]acetate has a molecular weight of 338.32 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-cyano-4,6-bis(furan-2-yl)-2-pyridinyl]oxy]acetate is sourced from PubChem (CID 2816059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).