ethyl 3-cyano-6-cyclopropylpyridine-2-carboxylate

C12H12N2O2 — CID 50853263

IUPACethyl 3-cyano-6-cyclopropylpyridine-2-carboxylate
SMILESCCOC(=O)c1nc(C2CC2)ccc1C#N
InChIInChI=1S/C12H12N2O2/c1-2-16-12(15)11-9(7-13)5-6-10(14-11)8-3-4-8/h5-6,8H,2-4H2,1H3
InChIKeyFQHVEROZFWIFJE-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.01
Rot. Bonds3

About ethyl 3-cyano-6-cyclopropylpyridine-2-carboxylate

ethyl 3-cyano-6-cyclopropylpyridine-2-carboxylate (PubChem CID 50853263) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is ethyl 3-cyano-6-cyclopropylpyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyano-6-cyclopropylpyridine-2-carboxylate
PubChem CID50853263
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Nameethyl 3-cyano-6-cyclopropylpyridine-2-carboxylate
SMILESCCOC(=O)c1nc(C2CC2)ccc1C#N
InChIInChI=1S/C12H12N2O2/c1-2-16-12(15)11-9(7-13)5-6-10(14-11)8-3-4-8/h5-6,8H,2-4H2,1H3
InChIKeyFQHVEROZFWIFJE-UHFFFAOYSA-N
XLogP2.01
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3-cyano-6-cyclopropylpyridine-2-carboxylate 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 3-cyano-6-cyclopropylpyridine-2-carboxylate?
The IUPAC name of ethyl 3-cyano-6-cyclopropylpyridine-2-carboxylate (CID 50853263) is ethyl 3-cyano-6-cyclopropylpyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-cyano-6-cyclopropylpyridine-2-carboxylate?
The canonical SMILES for ethyl 3-cyano-6-cyclopropylpyridine-2-carboxylate is CCOC(=O)c1nc(C2CC2)ccc1C#N.
What is the InChIKey of ethyl 3-cyano-6-cyclopropylpyridine-2-carboxylate?
The InChIKey is FQHVEROZFWIFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-2-16-12(15)11-9(7-13)5-6-10(14-11)8-3-4-8/h5-6,8H,2-4H2,1H3.
What are the key properties of ethyl 3-cyano-6-cyclopropylpyridine-2-carboxylate?
ethyl 3-cyano-6-cyclopropylpyridine-2-carboxylate has a molecular weight of 216.24 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyano-6-cyclopropylpyridine-2-carboxylate is sourced from PubChem (CID 50853263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).