ethyl 2-cyano-2-pyridin-4-ylpropanoate

C11H12N2O2 — CID 12758197

IUPACethyl 2-cyano-2-pyridin-4-ylpropanoate
SMILESCCOC(=O)C(C)(C#N)c1ccncc1
InChIInChI=1S/C11H12N2O2/c1-3-15-10(14)11(2,8-12)9-4-6-13-7-5-9/h4-7H,3H2,1-2H3
InChIKeyWGJUPVGWAYMVMN-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.43
Rot. Bonds3

About ethyl 2-cyano-2-pyridin-4-ylpropanoate

ethyl 2-cyano-2-pyridin-4-ylpropanoate (PubChem CID 12758197) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is ethyl 2-cyano-2-pyridin-4-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-cyano-2-pyridin-4-ylpropanoate
PubChem CID12758197
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Nameethyl 2-cyano-2-pyridin-4-ylpropanoate
SMILESCCOC(=O)C(C)(C#N)c1ccncc1
InChIInChI=1S/C11H12N2O2/c1-3-15-10(14)11(2,8-12)9-4-6-13-7-5-9/h4-7H,3H2,1-2H3
InChIKeyWGJUPVGWAYMVMN-UHFFFAOYSA-N
XLogP1.43
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-cyano-2-[4-(trifluoromethyl)-2-pyridinyl]propanoate
CID 104572310
ethyl 2-(5-chloropyrimidin-2-yl)-2-cyanopropanoate
CID 104572337
ethyl 2-acetyl-3-oxo-2-pyridin-4-ylbutanoate
CID 102130111
ethyl 2,2-difluoro-3-hydroxy-3-pyridin-4-ylbutanoate
CID 62397575
ethyl 2-(3-benzoylphenyl)-2-cyanopropanoate
CID 20532025
ethyl 2-(5-bromo-2-pyridinyl)-2-cyanopropanoate
CID 104572258
ethyl 2-cyano-2-(5-fluoro-2-pyridinyl)propanoate
CID 104572268
ethyl 2-cyano-2-(3-cyano-4-nitrophenyl)propanoate
CID 104572259
ethyl 2-cyano-2-(5,6-dimethyl-1,2,4-triazin-3-yl)propanoate
CID 114788106
ethyl 2-cyano-2-(3-methoxy-4-nitrophenyl)propanoate
CID 104572305
ethyl 2-cyano-2-(5-methoxyisoquinolin-1-yl)propanoate
CID 106543851
ethyl 2-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-cyanopropanoate
CID 113428133

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyano-2-pyridin-4-ylpropanoate?
The IUPAC name of ethyl 2-cyano-2-pyridin-4-ylpropanoate (CID 12758197) is ethyl 2-cyano-2-pyridin-4-ylpropanoate.
What is the SMILES notation for ethyl 2-cyano-2-pyridin-4-ylpropanoate?
The canonical SMILES for ethyl 2-cyano-2-pyridin-4-ylpropanoate is CCOC(=O)C(C)(C#N)c1ccncc1.
What is the InChIKey of ethyl 2-cyano-2-pyridin-4-ylpropanoate?
The InChIKey is WGJUPVGWAYMVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-3-15-10(14)11(2,8-12)9-4-6-13-7-5-9/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 2-cyano-2-pyridin-4-ylpropanoate?
ethyl 2-cyano-2-pyridin-4-ylpropanoate has a molecular weight of 204.23 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyano-2-pyridin-4-ylpropanoate is sourced from PubChem (CID 12758197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).