ethyl 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)oxy]acetate

C22H18N2O3 — CID 2813721

IUPACethyl 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)oxy]acetate
SMILESCCOC(=O)COc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N
InChIInChI=1S/C22H18N2O3/c1-2-26-21(25)15-27-22-19(14-23)18(16-9-5-3-6-10-16)13-20(24-22)17-11-7-4-8-12-17/h3-13H,2,15H2,1H3
InChIKeyPZNJITRXQKRPFY-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.23
Rot. Bonds6

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

ethyl 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)oxy]acetate (PubChem CID 2813721) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is ethyl 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)oxy]acetate
PubChem CID2813721
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Nameethyl 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)oxy]acetate
SMILESCCOC(=O)COc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N
InChIInChI=1S/C22H18N2O3/c1-2-26-21(25)15-27-22-19(14-23)18(16-9-5-3-6-10-16)13-20(24-22)17-11-7-4-8-12-17/h3-13H,2,15H2,1H3
InChIKeyPZNJITRXQKRPFY-UHFFFAOYSA-N
XLogP4.23
TPSA72.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)oxy]acetate?
The IUPAC name of ethyl 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)oxy]acetate (CID 2813721) is ethyl 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)oxy]acetate.
What is the SMILES notation for ethyl 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)oxy]acetate?
The canonical SMILES for ethyl 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)oxy]acetate is CCOC(=O)COc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N.
What is the InChIKey of ethyl 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)oxy]acetate?
The InChIKey is PZNJITRXQKRPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-2-26-21(25)15-27-22-19(14-23)18(16-9-5-3-6-10-16)13-20(24-22)17-11-7-4-8-12-17/h3-13H,2,15H2,1H3.
What are the key properties of ethyl 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)oxy]acetate?
ethyl 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)oxy]acetate has a molecular weight of 358.40 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)oxy]acetate is sourced from PubChem (CID 2813721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).