ethyl 7H-thieno[2,3-c]pyridine-6-carboxylate

C10H11NO2S — CID 91358028

IUPACethyl 7H-thieno[2,3-c]pyridine-6-carboxylate
SMILESCCOC(=O)N1C=Cc2ccsc2C1
InChIInChI=1S/C10H11NO2S/c1-2-13-10(12)11-5-3-8-4-6-14-9(8)7-11/h3-6H,2,7H2,1H3
InChIKeyKFKNHYHHGZASCM-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.69
Rot. Bonds1

About ethyl 7H-thieno[2,3-c]pyridine-6-carboxylate

ethyl 7H-thieno[2,3-c]pyridine-6-carboxylate (PubChem CID 91358028) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is ethyl 7H-thieno[2,3-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7H-thieno[2,3-c]pyridine-6-carboxylate
PubChem CID91358028
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Nameethyl 7H-thieno[2,3-c]pyridine-6-carboxylate
SMILESCCOC(=O)N1C=Cc2ccsc2C1
InChIInChI=1S/C10H11NO2S/c1-2-13-10(12)11-5-3-8-4-6-14-9(8)7-11/h3-6H,2,7H2,1H3
InChIKeyKFKNHYHHGZASCM-UHFFFAOYSA-N
XLogP2.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 7H-thieno[2,3-c]pyridine-6-carboxylate?
The IUPAC name of ethyl 7H-thieno[2,3-c]pyridine-6-carboxylate (CID 91358028) is ethyl 7H-thieno[2,3-c]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 7H-thieno[2,3-c]pyridine-6-carboxylate?
The canonical SMILES for ethyl 7H-thieno[2,3-c]pyridine-6-carboxylate is CCOC(=O)N1C=Cc2ccsc2C1.
What is the InChIKey of ethyl 7H-thieno[2,3-c]pyridine-6-carboxylate?
The InChIKey is KFKNHYHHGZASCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-2-13-10(12)11-5-3-8-4-6-14-9(8)7-11/h3-6H,2,7H2,1H3.
What are the key properties of ethyl 7H-thieno[2,3-c]pyridine-6-carboxylate?
ethyl 7H-thieno[2,3-c]pyridine-6-carboxylate has a molecular weight of 209.27 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7H-thieno[2,3-c]pyridine-6-carboxylate is sourced from PubChem (CID 91358028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).