ethyl 2-cyano-2-ethylpyridine-1-carboxylate

C11H14N2O2 — CID 13397709

IUPACethyl 2-cyano-2-ethylpyridine-1-carboxylate
SMILESCCOC(=O)N1C=CC=CC1(C#N)CC
InChIInChI=1S/C11H14N2O2/c1-3-11(9-12)7-5-6-8-13(11)10(14)15-4-2/h5-8H,3-4H2,1-2H3
InChIKeyDVNWXHNDRBMBCL-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.20
Rot. Bonds2

About ethyl 2-cyano-2-ethylpyridine-1-carboxylate

ethyl 2-cyano-2-ethylpyridine-1-carboxylate (PubChem CID 13397709) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is ethyl 2-cyano-2-ethylpyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-cyano-2-ethylpyridine-1-carboxylate
PubChem CID13397709
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Nameethyl 2-cyano-2-ethylpyridine-1-carboxylate
SMILESCCOC(=O)N1C=CC=CC1(C#N)CC
InChIInChI=1S/C11H14N2O2/c1-3-11(9-12)7-5-6-8-13(11)10(14)15-4-2/h5-8H,3-4H2,1-2H3
InChIKeyDVNWXHNDRBMBCL-UHFFFAOYSA-N
XLogP2.20
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyano-2-ethylpyridine-1-carboxylate?
The IUPAC name of ethyl 2-cyano-2-ethylpyridine-1-carboxylate (CID 13397709) is ethyl 2-cyano-2-ethylpyridine-1-carboxylate.
What is the SMILES notation for ethyl 2-cyano-2-ethylpyridine-1-carboxylate?
The canonical SMILES for ethyl 2-cyano-2-ethylpyridine-1-carboxylate is CCOC(=O)N1C=CC=CC1(C#N)CC.
What is the InChIKey of ethyl 2-cyano-2-ethylpyridine-1-carboxylate?
The InChIKey is DVNWXHNDRBMBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-3-11(9-12)7-5-6-8-13(11)10(14)15-4-2/h5-8H,3-4H2,1-2H3.
What are the key properties of ethyl 2-cyano-2-ethylpyridine-1-carboxylate?
ethyl 2-cyano-2-ethylpyridine-1-carboxylate has a molecular weight of 206.24 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyano-2-ethylpyridine-1-carboxylate is sourced from PubChem (CID 13397709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).