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

C20H15ClN2O4 — CID 2815322

IUPACethyl 2-[[6-(4-chlorophenyl)-3-cyano-4-(furan-2-yl)-2-pyridinyl]oxy]acetate
SMILESCCOC(=O)COc1nc(-c2ccc(Cl)cc2)cc(-c2ccco2)c1C#N
InChIInChI=1S/C20H15ClN2O4/c1-2-25-19(24)12-27-20-16(11-22)15(18-4-3-9-26-18)10-17(23-20)13-5-7-14(21)8-6-13/h3-10H,2,12H2,1H3
InChIKeyWOVXWWDDZZKSSG-UHFFFAOYSA-N
MW382.80 g/mol
LogP4.48
Rot. Bonds6

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

ethyl 2-[[6-(4-chlorophenyl)-3-cyano-4-(furan-2-yl)-2-pyridinyl]oxy]acetate (PubChem CID 2815322) has the molecular formula C20H15ClN2O4 and a molecular weight of 382.80 g/mol. Its IUPAC name is ethyl 2-[[6-(4-chlorophenyl)-3-cyano-4-(furan-2-yl)-2-pyridinyl]oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[[6-(4-chlorophenyl)-3-cyano-4-(furan-2-yl)-2-pyridinyl]oxy]acetate
PubChem CID2815322
Molecular FormulaC20H15ClN2O4
Molecular Weight382.80 g/mol
Exact Mass382.07
IUPAC Nameethyl 2-[[6-(4-chlorophenyl)-3-cyano-4-(furan-2-yl)-2-pyridinyl]oxy]acetate
SMILESCCOC(=O)COc1nc(-c2ccc(Cl)cc2)cc(-c2ccco2)c1C#N
InChIInChI=1S/C20H15ClN2O4/c1-2-25-19(24)12-27-20-16(11-22)15(18-4-3-9-26-18)10-17(23-20)13-5-7-14(21)8-6-13/h3-10H,2,12H2,1H3
InChIKeyWOVXWWDDZZKSSG-UHFFFAOYSA-N
XLogP4.48
TPSA85.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.80
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6-(4-chlorophenyl)-3-cyano-4-(furan-2-yl)-2-pyridinyl]oxy]acetate?
The IUPAC name of ethyl 2-[[6-(4-chlorophenyl)-3-cyano-4-(furan-2-yl)-2-pyridinyl]oxy]acetate (CID 2815322) is ethyl 2-[[6-(4-chlorophenyl)-3-cyano-4-(furan-2-yl)-2-pyridinyl]oxy]acetate.
What is the SMILES notation for ethyl 2-[[6-(4-chlorophenyl)-3-cyano-4-(furan-2-yl)-2-pyridinyl]oxy]acetate?
The canonical SMILES for ethyl 2-[[6-(4-chlorophenyl)-3-cyano-4-(furan-2-yl)-2-pyridinyl]oxy]acetate is CCOC(=O)COc1nc(-c2ccc(Cl)cc2)cc(-c2ccco2)c1C#N.
What is the InChIKey of ethyl 2-[[6-(4-chlorophenyl)-3-cyano-4-(furan-2-yl)-2-pyridinyl]oxy]acetate?
The InChIKey is WOVXWWDDZZKSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O4/c1-2-25-19(24)12-27-20-16(11-22)15(18-4-3-9-26-18)10-17(23-20)13-5-7-14(21)8-6-13/h3-10H,2,12H2,1H3.
What are the key properties of ethyl 2-[[6-(4-chlorophenyl)-3-cyano-4-(furan-2-yl)-2-pyridinyl]oxy]acetate?
ethyl 2-[[6-(4-chlorophenyl)-3-cyano-4-(furan-2-yl)-2-pyridinyl]oxy]acetate has a molecular weight of 382.80 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[6-(4-chlorophenyl)-3-cyano-4-(furan-2-yl)-2-pyridinyl]oxy]acetate is sourced from PubChem (CID 2815322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).