ethyl 4,5-diethylpyridine-2-carboxylate

C12H17NO2 — CID 144863109

IUPACethyl 4,5-diethylpyridine-2-carboxylate
SMILESCCOC(=O)c1cc(CC)c(CC)cn1
InChIInChI=1S/C12H17NO2/c1-4-9-7-11(12(14)15-6-3)13-8-10(9)5-2/h7-8H,4-6H2,1-3H3
InChIKeyYLPQRGIPKOKFGY-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.38
Rot. Bonds4

About ethyl 4,5-diethylpyridine-2-carboxylate

ethyl 4,5-diethylpyridine-2-carboxylate (PubChem CID 144863109) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is ethyl 4,5-diethylpyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4,5-diethylpyridine-2-carboxylate
PubChem CID144863109
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Nameethyl 4,5-diethylpyridine-2-carboxylate
SMILESCCOC(=O)c1cc(CC)c(CC)cn1
InChIInChI=1S/C12H17NO2/c1-4-9-7-11(12(14)15-6-3)13-8-10(9)5-2/h7-8H,4-6H2,1-3H3
InChIKeyYLPQRGIPKOKFGY-UHFFFAOYSA-N
XLogP2.38
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4,5-diethylpyridine-2-carboxylate?
The IUPAC name of ethyl 4,5-diethylpyridine-2-carboxylate (CID 144863109) is ethyl 4,5-diethylpyridine-2-carboxylate.
What is the SMILES notation for ethyl 4,5-diethylpyridine-2-carboxylate?
The canonical SMILES for ethyl 4,5-diethylpyridine-2-carboxylate is CCOC(=O)c1cc(CC)c(CC)cn1.
What is the InChIKey of ethyl 4,5-diethylpyridine-2-carboxylate?
The InChIKey is YLPQRGIPKOKFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-9-7-11(12(14)15-6-3)13-8-10(9)5-2/h7-8H,4-6H2,1-3H3.
What are the key properties of ethyl 4,5-diethylpyridine-2-carboxylate?
ethyl 4,5-diethylpyridine-2-carboxylate has a molecular weight of 207.27 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5-diethylpyridine-2-carboxylate is sourced from PubChem (CID 144863109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).