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

C10H10N2O2 — CID 13050105

IUPACethyl 2-(3-cyano-2-pyridinyl)acetate
SMILESCCOC(=O)Cc1ncccc1C#N
InChIInChI=1S/C10H10N2O2/c1-2-14-10(13)6-9-8(7-11)4-3-5-12-9/h3-5H,2,6H2,1H3
InChIKeyTXCFZDPPFKCWNV-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.06
Rot. Bonds3

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

ethyl 2-(3-cyano-2-pyridinyl)acetate (PubChem CID 13050105) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is ethyl 2-(3-cyano-2-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-cyano-2-pyridinyl)acetate
PubChem CID13050105
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Nameethyl 2-(3-cyano-2-pyridinyl)acetate
SMILESCCOC(=O)Cc1ncccc1C#N
InChIInChI=1S/C10H10N2O2/c1-2-14-10(13)6-9-8(7-11)4-3-5-12-9/h3-5H,2,6H2,1H3
InChIKeyTXCFZDPPFKCWNV-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(3-cyano-2-pyridinyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-cyano-2-pyridinyl)acetate?
The IUPAC name of ethyl 2-(3-cyano-2-pyridinyl)acetate (CID 13050105) is ethyl 2-(3-cyano-2-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-(3-cyano-2-pyridinyl)acetate?
The canonical SMILES for ethyl 2-(3-cyano-2-pyridinyl)acetate is CCOC(=O)Cc1ncccc1C#N.
What is the InChIKey of ethyl 2-(3-cyano-2-pyridinyl)acetate?
The InChIKey is TXCFZDPPFKCWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-2-14-10(13)6-9-8(7-11)4-3-5-12-9/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 2-(3-cyano-2-pyridinyl)acetate?
ethyl 2-(3-cyano-2-pyridinyl)acetate has a molecular weight of 190.20 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-cyano-2-pyridinyl)acetate is sourced from PubChem (CID 13050105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).