ethyl 2-cyano-2-pyridin-2-ylacetate

C10H10N2O2 — CID 2842210

IUPACethyl 2-cyano-2-pyridin-2-ylacetate
SMILESCCOC(=O)C(C#N)c1ccccn1
InChIInChI=1S/C10H10N2O2/c1-2-14-10(13)8(7-11)9-5-3-4-6-12-9/h3-6,8H,2H2,1H3
InChIKeyLWZBDTQYCJMNPJ-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.25
Rot. Bonds3

About ethyl 2-cyano-2-pyridin-2-ylacetate

ethyl 2-cyano-2-pyridin-2-ylacetate (PubChem CID 2842210) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is ethyl 2-cyano-2-pyridin-2-ylacetate.

Molecular Properties

Compound Nameethyl 2-cyano-2-pyridin-2-ylacetate
PubChem CID2842210
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Nameethyl 2-cyano-2-pyridin-2-ylacetate
SMILESCCOC(=O)C(C#N)c1ccccn1
InChIInChI=1S/C10H10N2O2/c1-2-14-10(13)8(7-11)9-5-3-4-6-12-9/h3-6,8H,2H2,1H3
InChIKeyLWZBDTQYCJMNPJ-UHFFFAOYSA-N
XLogP1.25
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyano-2-pyridin-2-ylacetate?
The IUPAC name of ethyl 2-cyano-2-pyridin-2-ylacetate (CID 2842210) is ethyl 2-cyano-2-pyridin-2-ylacetate.
What is the SMILES notation for ethyl 2-cyano-2-pyridin-2-ylacetate?
The canonical SMILES for ethyl 2-cyano-2-pyridin-2-ylacetate is CCOC(=O)C(C#N)c1ccccn1.
What is the InChIKey of ethyl 2-cyano-2-pyridin-2-ylacetate?
The InChIKey is LWZBDTQYCJMNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-2-14-10(13)8(7-11)9-5-3-4-6-12-9/h3-6,8H,2H2,1H3.
What are the key properties of ethyl 2-cyano-2-pyridin-2-ylacetate?
ethyl 2-cyano-2-pyridin-2-ylacetate has a molecular weight of 190.20 g/mol, XLogP of 1.25, 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-2-ylacetate is sourced from PubChem (CID 2842210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).