6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[2,3-b]pyridine

C13H16BNO2S — CID 130115418

IUPAC6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[2,3-b]pyridine
SMILESCC1(C)OB(c2ccc3ccsc3n2)OC1(C)C
InChIInChI=1S/C13H16BNO2S/c1-12(2)13(3,4)17-14(16-12)10-6-5-9-7-8-18-11(9)15-10/h5-8H,1-4H3
InChIKeyUINQLAOTMCQCLP-UHFFFAOYSA-N
MW261.15 g/mol
LogP2.60
Rot. Bonds1

About 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[2,3-b]pyridine

6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[2,3-b]pyridine (PubChem CID 130115418) has the molecular formula C13H16BNO2S and a molecular weight of 261.15 g/mol. Its IUPAC name is 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[2,3-b]pyridine.

Molecular Properties

Compound Name6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[2,3-b]pyridine
PubChem CID130115418
Molecular FormulaC13H16BNO2S
Molecular Weight261.15 g/mol
Exact Mass261.10
IUPAC Name6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[2,3-b]pyridine
SMILESCC1(C)OB(c2ccc3ccsc3n2)OC1(C)C
InChIInChI=1S/C13H16BNO2S/c1-12(2)13(3,4)17-14(16-12)10-6-5-9-7-8-18-11(9)15-10/h5-8H,1-4H3
InChIKeyUINQLAOTMCQCLP-UHFFFAOYSA-N
XLogP2.60
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 52.60
H-Bond Donors ≤ 50
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 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[2,3-b]pyridine?
The IUPAC name of 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[2,3-b]pyridine (CID 130115418) is 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[2,3-b]pyridine.
What is the SMILES notation for 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[2,3-b]pyridine?
The canonical SMILES for 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[2,3-b]pyridine is CC1(C)OB(c2ccc3ccsc3n2)OC1(C)C.
What is the InChIKey of 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[2,3-b]pyridine?
The InChIKey is UINQLAOTMCQCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BNO2S/c1-12(2)13(3,4)17-14(16-12)10-6-5-9-7-8-18-11(9)15-10/h5-8H,1-4H3.
What are the key properties of 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[2,3-b]pyridine?
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[2,3-b]pyridine has a molecular weight of 261.15 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[2,3-b]pyridine is sourced from PubChem (CID 130115418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).