ethyl 5-ethenyl-6-ethylpyridine-3-carboxylate

C12H15NO2 — CID 169260890

IUPACethyl 5-ethenyl-6-ethylpyridine-3-carboxylate
SMILESC=Cc1cc(C(=O)OCC)cnc1CC
InChIInChI=1S/C12H15NO2/c1-4-9-7-10(12(14)15-6-3)8-13-11(9)5-2/h4,7-8H,1,5-6H2,2-3H3
InChIKeyLCHSXEYQGXHWGG-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.46
Rot. Bonds4

About ethyl 5-ethenyl-6-ethylpyridine-3-carboxylate

ethyl 5-ethenyl-6-ethylpyridine-3-carboxylate (PubChem CID 169260890) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is ethyl 5-ethenyl-6-ethylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethenyl-6-ethylpyridine-3-carboxylate
PubChem CID169260890
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Nameethyl 5-ethenyl-6-ethylpyridine-3-carboxylate
SMILESC=Cc1cc(C(=O)OCC)cnc1CC
InChIInChI=1S/C12H15NO2/c1-4-9-7-10(12(14)15-6-3)8-13-11(9)5-2/h4,7-8H,1,5-6H2,2-3H3
InChIKeyLCHSXEYQGXHWGG-UHFFFAOYSA-N
XLogP2.46
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 7-ethenyl-6-fluoroquinoline-3-carboxylate
CID 129247870
ethyl 6-chloro-5-formylpyridine-3-carboxylate
CID 150533511
ethyl 5-hydroxy-6-methylpyridine-3-carboxylate
CID 15619972
ethyl 4-ethenyl-3,5-dihydroxybenzoate
CID 102254331
ethyl 5-(aminomethyl)-6-methylpyridine-3-carboxylate
CID 118366162
ethyl 6-amino-5-iodopyridine-3-carboxylate
CID 67057368
ethane;ethyl 5-ethylpyridine-3-carboxylate
CID 143600657
ethyl 6-(4-ethoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate
CID 122554521
ethyl 5-cyano-6-methylsulfanylpyridine-3-carboxylate
CID 54004334
5-ethoxycarbonyl-3-methoxypyridine-2-carboxylic acid
CID 22923766
ethyl 5,8-dioxoquinoline-3-carboxylate
CID 11053454
ethyl 2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate
CID 140979555

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethenyl-6-ethylpyridine-3-carboxylate?
The IUPAC name of ethyl 5-ethenyl-6-ethylpyridine-3-carboxylate (CID 169260890) is ethyl 5-ethenyl-6-ethylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-ethenyl-6-ethylpyridine-3-carboxylate?
The canonical SMILES for ethyl 5-ethenyl-6-ethylpyridine-3-carboxylate is C=Cc1cc(C(=O)OCC)cnc1CC.
What is the InChIKey of ethyl 5-ethenyl-6-ethylpyridine-3-carboxylate?
The InChIKey is LCHSXEYQGXHWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-4-9-7-10(12(14)15-6-3)8-13-11(9)5-2/h4,7-8H,1,5-6H2,2-3H3.
What are the key properties of ethyl 5-ethenyl-6-ethylpyridine-3-carboxylate?
ethyl 5-ethenyl-6-ethylpyridine-3-carboxylate has a molecular weight of 205.26 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethenyl-6-ethylpyridine-3-carboxylate is sourced from PubChem (CID 169260890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).