4-thieno[3,2-c]pyridin-4-ylbut-3-yn-1-ol

C11H9NOS — CID 122242435

IUPAC4-thieno[3,2-c]pyridin-4-ylbut-3-yn-1-ol
SMILESOCCC#Cc1nccc2sccc12
InChIInChI=1S/C11H9NOS/c13-7-2-1-3-10-9-5-8-14-11(9)4-6-12-10/h4-6,8,13H,2,7H2
InChIKeyMTNFNRXXELEHEN-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.03
Rot. Bonds1

About 4-thieno[3,2-c]pyridin-4-ylbut-3-yn-1-ol

4-thieno[3,2-c]pyridin-4-ylbut-3-yn-1-ol (PubChem CID 122242435) has the molecular formula C11H9NOS and a molecular weight of 203.27 g/mol. Its IUPAC name is 4-thieno[3,2-c]pyridin-4-ylbut-3-yn-1-ol.

Molecular Properties

Compound Name4-thieno[3,2-c]pyridin-4-ylbut-3-yn-1-ol
PubChem CID122242435
Molecular FormulaC11H9NOS
Molecular Weight203.27 g/mol
Exact Mass203.04
IUPAC Name4-thieno[3,2-c]pyridin-4-ylbut-3-yn-1-ol
SMILESOCCC#Cc1nccc2sccc12
InChIInChI=1S/C11H9NOS/c13-7-2-1-3-10-9-5-8-14-11(9)4-6-12-10/h4-6,8,13H,2,7H2
InChIKeyMTNFNRXXELEHEN-UHFFFAOYSA-N
XLogP2.03
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-thieno[3,2-c]pyridin-4-ylbut-3-yn-1-ol?
The IUPAC name of 4-thieno[3,2-c]pyridin-4-ylbut-3-yn-1-ol (CID 122242435) is 4-thieno[3,2-c]pyridin-4-ylbut-3-yn-1-ol.
What is the SMILES notation for 4-thieno[3,2-c]pyridin-4-ylbut-3-yn-1-ol?
The canonical SMILES for 4-thieno[3,2-c]pyridin-4-ylbut-3-yn-1-ol is OCCC#Cc1nccc2sccc12.
What is the InChIKey of 4-thieno[3,2-c]pyridin-4-ylbut-3-yn-1-ol?
The InChIKey is MTNFNRXXELEHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NOS/c13-7-2-1-3-10-9-5-8-14-11(9)4-6-12-10/h4-6,8,13H,2,7H2.
What are the key properties of 4-thieno[3,2-c]pyridin-4-ylbut-3-yn-1-ol?
4-thieno[3,2-c]pyridin-4-ylbut-3-yn-1-ol has a molecular weight of 203.27 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thieno[3,2-c]pyridin-4-ylbut-3-yn-1-ol is sourced from PubChem (CID 122242435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).