thieno[3,2-c]pyridin-2-ylboronic acid

C7H6BNO2S — CID 55265943

IUPACthieno[3,2-c]pyridin-2-ylboronic acid
SMILESOB(O)c1cc2cnccc2s1
InChIInChI=1S/C7H6BNO2S/c10-8(11)7-3-5-4-9-2-1-6(5)12-7/h1-4,10-11H
InChIKeyWXMDFQBZMATQMY-UHFFFAOYSA-N
MW179.01 g/mol
LogP-0.02
Rot. Bonds1

About thieno[3,2-c]pyridin-2-ylboronic acid

thieno[3,2-c]pyridin-2-ylboronic acid (PubChem CID 55265943) has the molecular formula C7H6BNO2S and a molecular weight of 179.01 g/mol. Its IUPAC name is thieno[3,2-c]pyridin-2-ylboronic acid.

Molecular Properties

Compound Namethieno[3,2-c]pyridin-2-ylboronic acid
PubChem CID55265943
Molecular FormulaC7H6BNO2S
Molecular Weight179.01 g/mol
Exact Mass179.02
IUPAC Namethieno[3,2-c]pyridin-2-ylboronic acid
SMILESOB(O)c1cc2cnccc2s1
InChIInChI=1S/C7H6BNO2S/c10-8(11)7-3-5-4-9-2-1-6(5)12-7/h1-4,10-11H
InChIKeyWXMDFQBZMATQMY-UHFFFAOYSA-N
XLogP-0.02
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.01
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of thieno[3,2-c]pyridin-2-ylboronic acid?
The IUPAC name of thieno[3,2-c]pyridin-2-ylboronic acid (CID 55265943) is thieno[3,2-c]pyridin-2-ylboronic acid.
What is the SMILES notation for thieno[3,2-c]pyridin-2-ylboronic acid?
The canonical SMILES for thieno[3,2-c]pyridin-2-ylboronic acid is OB(O)c1cc2cnccc2s1.
What is the InChIKey of thieno[3,2-c]pyridin-2-ylboronic acid?
The InChIKey is WXMDFQBZMATQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BNO2S/c10-8(11)7-3-5-4-9-2-1-6(5)12-7/h1-4,10-11H.
What are the key properties of thieno[3,2-c]pyridin-2-ylboronic acid?
thieno[3,2-c]pyridin-2-ylboronic acid has a molecular weight of 179.01 g/mol, XLogP of -0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[3,2-c]pyridin-2-ylboronic acid is sourced from PubChem (CID 55265943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).