ethyl 6-cyano-2-ethylpyridine-3-carboxylate

C11H12N2O2 — CID 141150899

IUPACethyl 6-cyano-2-ethylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C#N)nc1CC
InChIInChI=1S/C11H12N2O2/c1-3-10-9(11(14)15-4-2)6-5-8(7-12)13-10/h5-6H,3-4H2,1-2H3
InChIKeyNPYKXLOHKZQWPH-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.69
Rot. Bonds3

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

ethyl 6-cyano-2-ethylpyridine-3-carboxylate (PubChem CID 141150899) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is ethyl 6-cyano-2-ethylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-cyano-2-ethylpyridine-3-carboxylate
PubChem CID141150899
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Nameethyl 6-cyano-2-ethylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C#N)nc1CC
InChIInChI=1S/C11H12N2O2/c1-3-10-9(11(14)15-4-2)6-5-8(7-12)13-10/h5-6H,3-4H2,1-2H3
InChIKeyNPYKXLOHKZQWPH-UHFFFAOYSA-N
XLogP1.69
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(6-cyano-3-hydroxy-2-pyridinyl)acetate
CID 133097572
ethyl 6-(4-chlorophenyl)-2-ethylpyridine-3-carboxylate
CID 116532919
ethyl 6-(2,5-dimethylphenyl)-2-ethylpyridine-3-carboxylate
CID 116532924
ethyl 2-ethyl-6-(3-methylphenyl)pyridine-3-carboxylate
CID 116532844
ethyl 2-ethyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxylate
CID 116532896
ethyl 4-cyano-2,3-dihydroxybenzoate
CID 131533373
ethyl 4-(6-cyano-2-pyridinyl)benzoate
CID 14097204
ethyl 2,3-dichloro-4-cyanobenzoate
CID 134651473
ethyl 3-cyano-2,4-dihydroxybenzoate
CID 131533377
ethyl 4-cyano-2-hydroxy-3-methylbenzoate
CID 131505282
ethyl 4-cyano-3-fluoro-2-methylbenzoate
CID 134633399
ethyl 3-bromo-4-cyano-2-ethylbenzoate
CID 134650254

Frequently Asked Questions

What is the IUPAC name of ethyl 6-cyano-2-ethylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-cyano-2-ethylpyridine-3-carboxylate (CID 141150899) is ethyl 6-cyano-2-ethylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-cyano-2-ethylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-cyano-2-ethylpyridine-3-carboxylate is CCOC(=O)c1ccc(C#N)nc1CC.
What is the InChIKey of ethyl 6-cyano-2-ethylpyridine-3-carboxylate?
The InChIKey is NPYKXLOHKZQWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-3-10-9(11(14)15-4-2)6-5-8(7-12)13-10/h5-6H,3-4H2,1-2H3.
What are the key properties of ethyl 6-cyano-2-ethylpyridine-3-carboxylate?
ethyl 6-cyano-2-ethylpyridine-3-carboxylate has a molecular weight of 204.23 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-cyano-2-ethylpyridine-3-carboxylate is sourced from PubChem (CID 141150899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).