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

C13H16BNO3 — CID 46736892

IUPAC6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furo[3,2-b]pyridine
SMILESCC1(C)OB(c2cnc3ccoc3c2)OC1(C)C
InChIInChI=1S/C13H16BNO3/c1-12(2)13(3,4)18-14(17-12)9-7-11-10(15-8-9)5-6-16-11/h5-8H,1-4H3
InChIKeyGSSJAXUDJLCMNO-UHFFFAOYSA-N
MW245.09 g/mol
LogP2.13
Rot. Bonds1

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

6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furo[3,2-b]pyridine (PubChem CID 46736892) has the molecular formula C13H16BNO3 and a molecular weight of 245.09 g/mol. Its IUPAC name is 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furo[3,2-b]pyridine.

Molecular Properties

Compound Name6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furo[3,2-b]pyridine
PubChem CID46736892
Molecular FormulaC13H16BNO3
Molecular Weight245.09 g/mol
Exact Mass245.12
IUPAC Name6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furo[3,2-b]pyridine
SMILESCC1(C)OB(c2cnc3ccoc3c2)OC1(C)C
InChIInChI=1S/C13H16BNO3/c1-12(2)13(3,4)18-14(17-12)9-7-11-10(15-8-9)5-6-16-11/h5-8H,1-4H3
InChIKeyGSSJAXUDJLCMNO-UHFFFAOYSA-N
XLogP2.13
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.09
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furo[3,2-b]pyridine with MolForge

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Related Compounds

2-(1-Azabicyclo[2.2.2]oct-2-en-3-yl)furo[3,2-b]pyridine
CID 10823129
2-(1-Methylpyrrolidin-2-yl)furo[3,2-b]pyridine
CID 19597631
Furo(3,2-b)pyridine
CID 12210217
2-(4-methoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]furo[3,2-b]pyridine
CID 24819159
5-(2-methyl-2H-imidazol-4-yl)-3-(3-pyridin-4-ylphenyl)furo[3,2-b]pyridine
CID 168275880
2-((S)-1-Methyl-pyrrolidin-2-yl)-furo[3,2-b]pyridine
CID 9882021
(S)-2-Pyrrolidin-2-yl-furo[3,2-b]pyridine
CID 15389735
2-((R)-1-Methyl-pyrrolidin-2-yl)-furo[3,2-b]pyridine
CID 44324548
(R)-2-Pyrrolidin-2-yl-furo[3,2-b]pyridine
CID 44324564
2-Phenylfuro[3,2-b]pyridine
CID 10987164
3-Bromofuro[3,2-b]pyridine
CID 641477
Furo(3,2-b)pyridine-2-carbaldehyde
CID 642127

Frequently Asked Questions

What is the IUPAC name of 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furo[3,2-b]pyridine?
The IUPAC name of 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furo[3,2-b]pyridine (CID 46736892) is 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furo[3,2-b]pyridine.
What is the SMILES notation for 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furo[3,2-b]pyridine?
The canonical SMILES for 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furo[3,2-b]pyridine is CC1(C)OB(c2cnc3ccoc3c2)OC1(C)C.
What is the InChIKey of 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furo[3,2-b]pyridine?
The InChIKey is GSSJAXUDJLCMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BNO3/c1-12(2)13(3,4)18-14(17-12)9-7-11-10(15-8-9)5-6-16-11/h5-8H,1-4H3.
What are the key properties of 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furo[3,2-b]pyridine?
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furo[3,2-b]pyridine has a molecular weight of 245.09 g/mol, XLogP of 2.13, 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)furo[3,2-b]pyridine is sourced from PubChem (CID 46736892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).