ethyl 2-(5-cyano-2-methoxy-3-pyridinyl)acetate

C11H12N2O3 — CID 133097500

IUPACethyl 2-(5-cyano-2-methoxy-3-pyridinyl)acetate
SMILESCCOC(=O)Cc1cc(C#N)cnc1OC
InChIInChI=1S/C11H12N2O3/c1-3-16-10(14)5-9-4-8(6-12)7-13-11(9)15-2/h4,7H,3,5H2,1-2H3
InChIKeyJOPCNFBWJDPUGL-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.07
Rot. Bonds4

About ethyl 2-(5-cyano-2-methoxy-3-pyridinyl)acetate

ethyl 2-(5-cyano-2-methoxy-3-pyridinyl)acetate (PubChem CID 133097500) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is ethyl 2-(5-cyano-2-methoxy-3-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-cyano-2-methoxy-3-pyridinyl)acetate
PubChem CID133097500
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Nameethyl 2-(5-cyano-2-methoxy-3-pyridinyl)acetate
SMILESCCOC(=O)Cc1cc(C#N)cnc1OC
InChIInChI=1S/C11H12N2O3/c1-3-16-10(14)5-9-4-8(6-12)7-13-11(9)15-2/h4,7H,3,5H2,1-2H3
InChIKeyJOPCNFBWJDPUGL-UHFFFAOYSA-N
XLogP1.07
TPSA72.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(5-cyano-2-methoxy-3-sulfanylphenyl)acetate
CID 134654185
ethyl 2-[3-(bromomethyl)-5-cyano-2-ethylphenyl]acetate
CID 134614787
ethyl 2-(5-cyano-2-fluoro-3-methylphenyl)acetate
CID 134633593
ethyl 2-(5-cyano-2-fluorophenyl)acetate
CID 134652042
ethyl 2-(5-cyano-2-methyl-3-sulfanylphenyl)acetate
CID 134614258
ethyl 2-(2-bromo-5-cyanophenyl)acetate
CID 134652096
ethyl 2-(5-cyano-2-methyl-4-pyridinyl)acetate
CID 133097335
ethyl 2-(2-chloro-5-cyano-3-methylphenyl)acetate
CID 134653257
ethyl 2-[3-(aminomethyl)-2-chloro-5-cyanophenyl]acetate
CID 134654914
ethyl 2-[3-(chloromethyl)-5-cyano-2-hydroxyphenyl]acetate
CID 165345328
ethyl 2-[4-cyano-2-(hydroxymethyl)-6-methoxyphenyl]acetate
CID 134655167
ethyl 2-(3-methoxypyrazin-2-yl)acetate
CID 112692734

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-cyano-2-methoxy-3-pyridinyl)acetate?
The IUPAC name of ethyl 2-(5-cyano-2-methoxy-3-pyridinyl)acetate (CID 133097500) is ethyl 2-(5-cyano-2-methoxy-3-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-(5-cyano-2-methoxy-3-pyridinyl)acetate?
The canonical SMILES for ethyl 2-(5-cyano-2-methoxy-3-pyridinyl)acetate is CCOC(=O)Cc1cc(C#N)cnc1OC.
What is the InChIKey of ethyl 2-(5-cyano-2-methoxy-3-pyridinyl)acetate?
The InChIKey is JOPCNFBWJDPUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-3-16-10(14)5-9-4-8(6-12)7-13-11(9)15-2/h4,7H,3,5H2,1-2H3.
What are the key properties of ethyl 2-(5-cyano-2-methoxy-3-pyridinyl)acetate?
ethyl 2-(5-cyano-2-methoxy-3-pyridinyl)acetate has a molecular weight of 220.23 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-cyano-2-methoxy-3-pyridinyl)acetate is sourced from PubChem (CID 133097500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).