ethyl 3-bromothieno[2,3-b]pyridine-2-carboxylate

C10H8BrNO2S — CID 23344284

IUPACethyl 3-bromothieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2ncccc2c1Br
InChIInChI=1S/C10H8BrNO2S/c1-2-14-10(13)8-7(11)6-4-3-5-12-9(6)15-8/h3-5H,2H2,1H3
InChIKeySFDIRKDBTVHEEY-UHFFFAOYSA-N
MW286.15 g/mol
LogP3.24
Rot. Bonds2

About ethyl 3-bromothieno[2,3-b]pyridine-2-carboxylate

ethyl 3-bromothieno[2,3-b]pyridine-2-carboxylate (PubChem CID 23344284) has the molecular formula C10H8BrNO2S and a molecular weight of 286.15 g/mol. Its IUPAC name is ethyl 3-bromothieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-bromothieno[2,3-b]pyridine-2-carboxylate
PubChem CID23344284
Molecular FormulaC10H8BrNO2S
Molecular Weight286.15 g/mol
Exact Mass284.95
IUPAC Nameethyl 3-bromothieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2ncccc2c1Br
InChIInChI=1S/C10H8BrNO2S/c1-2-14-10(13)8-7(11)6-4-3-5-12-9(6)15-8/h3-5H,2H2,1H3
InChIKeySFDIRKDBTVHEEY-UHFFFAOYSA-N
XLogP3.24
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.15
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-bromothieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-bromothieno[2,3-b]pyridine-2-carboxylate (CID 23344284) is ethyl 3-bromothieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-bromothieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-bromothieno[2,3-b]pyridine-2-carboxylate is CCOC(=O)c1sc2ncccc2c1Br.
What is the InChIKey of ethyl 3-bromothieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is SFDIRKDBTVHEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO2S/c1-2-14-10(13)8-7(11)6-4-3-5-12-9(6)15-8/h3-5H,2H2,1H3.
What are the key properties of ethyl 3-bromothieno[2,3-b]pyridine-2-carboxylate?
ethyl 3-bromothieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 286.15 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-bromothieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 23344284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).