ethyl 2-ethyl-6-thiophen-2-yl-2H-pyridine-1-carboxylate

C14H17NO2S — CID 135067513

IUPACethyl 2-ethyl-6-thiophen-2-yl-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C(c2cccs2)=CC=CC1CC
InChIInChI=1S/C14H17NO2S/c1-3-11-7-5-8-12(13-9-6-10-18-13)15(11)14(16)17-4-2/h5-11H,3-4H2,1-2H3
InChIKeyFGZNYQQLXXUDQT-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.90
Rot. Bonds3

About ethyl 2-ethyl-6-thiophen-2-yl-2H-pyridine-1-carboxylate

ethyl 2-ethyl-6-thiophen-2-yl-2H-pyridine-1-carboxylate (PubChem CID 135067513) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is ethyl 2-ethyl-6-thiophen-2-yl-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-6-thiophen-2-yl-2H-pyridine-1-carboxylate
PubChem CID135067513
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Nameethyl 2-ethyl-6-thiophen-2-yl-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C(c2cccs2)=CC=CC1CC
InChIInChI=1S/C14H17NO2S/c1-3-11-7-5-8-12(13-9-6-10-18-13)15(11)14(16)17-4-2/h5-11H,3-4H2,1-2H3
InChIKeyFGZNYQQLXXUDQT-UHFFFAOYSA-N
XLogP3.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 3-(thiophen-2-yl)piperazine-1-carboxylate
CID 2771741
Ethyl 4-(2-thienylmethyl)-1-piperazinecarboxylate
CID 783744
Piperazinium, 4-carboxy-1-methyl-1-(2-thenyl)-, chloride, ethyl ester
CID 3065860
Ethyl4-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxylate
CID 6456281
N-methyl-N-(1-thiophen-2-ylethyl)acetamide
CID 60698565
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
tert-butyl 6-thiophen-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 10706828
tert-butyl N-methyl-N-(thiophen-2-ylmethyl)carbamate
CID 63790264
3-[2-[methyl-[(1S)-1-thiophen-2-ylethyl]amino]ethyl]-1,3-oxazolidin-2-one
CID 95158751
tert-butyl N-cyclobutyl-N-[(4-fluorothiophen-2-yl)methyl]carbamate
CID 146570715
tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-propylcarbamate
CID 146612126
3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]-1,3-oxazolidin-2-one
CID 153524607

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-6-thiophen-2-yl-2H-pyridine-1-carboxylate?
The IUPAC name of ethyl 2-ethyl-6-thiophen-2-yl-2H-pyridine-1-carboxylate (CID 135067513) is ethyl 2-ethyl-6-thiophen-2-yl-2H-pyridine-1-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-6-thiophen-2-yl-2H-pyridine-1-carboxylate?
The canonical SMILES for ethyl 2-ethyl-6-thiophen-2-yl-2H-pyridine-1-carboxylate is CCOC(=O)N1C(c2cccs2)=CC=CC1CC.
What is the InChIKey of ethyl 2-ethyl-6-thiophen-2-yl-2H-pyridine-1-carboxylate?
The InChIKey is FGZNYQQLXXUDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-3-11-7-5-8-12(13-9-6-10-18-13)15(11)14(16)17-4-2/h5-11H,3-4H2,1-2H3.
What are the key properties of ethyl 2-ethyl-6-thiophen-2-yl-2H-pyridine-1-carboxylate?
ethyl 2-ethyl-6-thiophen-2-yl-2H-pyridine-1-carboxylate has a molecular weight of 263.36 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-6-thiophen-2-yl-2H-pyridine-1-carboxylate is sourced from PubChem (CID 135067513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).