ethyl 2-[(3-cyano-4-phenyl-2-pyridinyl)oxy]acetate

C16H14N2O3 — CID 130194329

IUPACethyl 2-[(3-cyano-4-phenyl-2-pyridinyl)oxy]acetate
SMILESCCOC(=O)COc1nccc(-c2ccccc2)c1C#N
InChIInChI=1S/C16H14N2O3/c1-2-20-15(19)11-21-16-14(10-17)13(8-9-18-16)12-6-4-3-5-7-12/h3-9H,2,11H2,1H3
InChIKeyZZSGKZFZIQDSRN-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.56
Rot. Bonds5

About ethyl 2-[(3-cyano-4-phenyl-2-pyridinyl)oxy]acetate

ethyl 2-[(3-cyano-4-phenyl-2-pyridinyl)oxy]acetate (PubChem CID 130194329) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is ethyl 2-[(3-cyano-4-phenyl-2-pyridinyl)oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-cyano-4-phenyl-2-pyridinyl)oxy]acetate
PubChem CID130194329
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Nameethyl 2-[(3-cyano-4-phenyl-2-pyridinyl)oxy]acetate
SMILESCCOC(=O)COc1nccc(-c2ccccc2)c1C#N
InChIInChI=1S/C16H14N2O3/c1-2-20-15(19)11-21-16-14(10-17)13(8-9-18-16)12-6-4-3-5-7-12/h3-9H,2,11H2,1H3
InChIKeyZZSGKZFZIQDSRN-UHFFFAOYSA-N
XLogP2.56
TPSA72.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-chloroacetate;ethyl 2-[(3-cyano-4-phenyl-2-pyridinyl)oxy]acetate;2-oxo-4-phenyl-1H-pyridine-3-carbonitrile
CID 161058988
ethyl 2-[(3-cyano-2-pyridinyl)oxy]acetate
CID 134128969
2-(hydroxymethyl)-4-phenylpyridine-3-carbonitrile
CID 70704184
ethyl 2-[(3-bromo-4-methyl-2-pyridinyl)oxy]acetate
CID 164553275
2-(4-methoxyphenoxy)-4-phenylpyridine-3-carbonitrile
CID 1487474
ethyl 2-(2-phenylquinazolin-4-yl)oxyacetate
CID 741296
ethyl 2-(3-chloro-2-cyanophenoxy)acetate
CID 79035534
ethyl 2-(5-bromo-6-methyl-2-phenylpyrimidin-4-yl)oxyacetate
CID 170790136
ethyl 2-(1-benzyl-2-methyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate
CID 59170392
ethyl 2-(3-methylquinoxalin-2-yl)oxyacetate
CID 86157030
diethyl butanedioate;2,3-diphenylbenzene-1,4-dicarbonitrile
CID 174765817
ethyl 2-[(2-phenylphenyl)methoxy]acetate
CID 141346159

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-cyano-4-phenyl-2-pyridinyl)oxy]acetate?
The IUPAC name of ethyl 2-[(3-cyano-4-phenyl-2-pyridinyl)oxy]acetate (CID 130194329) is ethyl 2-[(3-cyano-4-phenyl-2-pyridinyl)oxy]acetate.
What is the SMILES notation for ethyl 2-[(3-cyano-4-phenyl-2-pyridinyl)oxy]acetate?
The canonical SMILES for ethyl 2-[(3-cyano-4-phenyl-2-pyridinyl)oxy]acetate is CCOC(=O)COc1nccc(-c2ccccc2)c1C#N.
What is the InChIKey of ethyl 2-[(3-cyano-4-phenyl-2-pyridinyl)oxy]acetate?
The InChIKey is ZZSGKZFZIQDSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-2-20-15(19)11-21-16-14(10-17)13(8-9-18-16)12-6-4-3-5-7-12/h3-9H,2,11H2,1H3.
What are the key properties of ethyl 2-[(3-cyano-4-phenyl-2-pyridinyl)oxy]acetate?
ethyl 2-[(3-cyano-4-phenyl-2-pyridinyl)oxy]acetate has a molecular weight of 282.30 g/mol, XLogP of 2.56, 5 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-phenyl-2-pyridinyl)oxy]acetate is sourced from PubChem (CID 130194329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).