ethyl 2-thieno[3,2-b]pyridin-7-ylacetate

C11H11NO2S — CID 67338527

IUPACethyl 2-thieno[3,2-b]pyridin-7-ylacetate
SMILESCCOC(=O)Cc1ccnc2ccsc12
InChIInChI=1S/C11H11NO2S/c1-2-14-10(13)7-8-3-5-12-9-4-6-15-11(8)9/h3-6H,2,7H2,1H3
InChIKeyCMWXEADZEOZUTN-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.40
Rot. Bonds3

About ethyl 2-thieno[3,2-b]pyridin-7-ylacetate

ethyl 2-thieno[3,2-b]pyridin-7-ylacetate (PubChem CID 67338527) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is ethyl 2-thieno[3,2-b]pyridin-7-ylacetate.

Molecular Properties

Compound Nameethyl 2-thieno[3,2-b]pyridin-7-ylacetate
PubChem CID67338527
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Nameethyl 2-thieno[3,2-b]pyridin-7-ylacetate
SMILESCCOC(=O)Cc1ccnc2ccsc12
InChIInChI=1S/C11H11NO2S/c1-2-14-10(13)7-8-3-5-12-9-4-6-15-11(8)9/h3-6H,2,7H2,1H3
InChIKeyCMWXEADZEOZUTN-UHFFFAOYSA-N
XLogP2.40
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-thieno[3,2-b]pyridin-7-ylacetic acid
CID 67338156
ethyl 2-(3-amino-2-bromo-4-pyridinyl)acetate
CID 133098459
ethyl 2-(2-amino-3-bromo-4-pyridinyl)acetate
CID 133098465
ethyl 2-(2-amino-3-fluoro-4-pyridinyl)acetate
CID 133096427
diethyl 2-thieno[3,2-d]pyrimidin-4-ylpropanedioate
CID 104573464
ethyl 2-[propyl(thieno[3,2-d]pyrimidin-4-yl)amino]acetate
CID 62007024
ethyl 2-(1,1-difluoroethyl)-1-thieno[3,2-b]pyridin-7-ylpyrrole-3-carboxylate
CID 167676131
ethyl 2-(4-aminopyrimidin-2-yl)acetate
CID 133058432
ethyl 2-(3-fluoro-4-methyl-2-pyridinyl)acetate
CID 133096616
ethyl 2-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetate
CID 133091163
ethyl 2-(2-cyano-3-methyl-4-pyridinyl)acetate
CID 133097445
ethyl 2-(quinolin-4-ylmethylamino)acetate
CID 55251513

Frequently Asked Questions

What is the IUPAC name of ethyl 2-thieno[3,2-b]pyridin-7-ylacetate?
The IUPAC name of ethyl 2-thieno[3,2-b]pyridin-7-ylacetate (CID 67338527) is ethyl 2-thieno[3,2-b]pyridin-7-ylacetate.
What is the SMILES notation for ethyl 2-thieno[3,2-b]pyridin-7-ylacetate?
The canonical SMILES for ethyl 2-thieno[3,2-b]pyridin-7-ylacetate is CCOC(=O)Cc1ccnc2ccsc12.
What is the InChIKey of ethyl 2-thieno[3,2-b]pyridin-7-ylacetate?
The InChIKey is CMWXEADZEOZUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-2-14-10(13)7-8-3-5-12-9-4-6-15-11(8)9/h3-6H,2,7H2,1H3.
What are the key properties of ethyl 2-thieno[3,2-b]pyridin-7-ylacetate?
ethyl 2-thieno[3,2-b]pyridin-7-ylacetate has a molecular weight of 221.28 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-thieno[3,2-b]pyridin-7-ylacetate is sourced from PubChem (CID 67338527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).