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

C13H16BNO3 — CID 66733614

IUPAC5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furo[2,3-b]pyridine
SMILESCC1(C)OB(c2cnc3occc3c2)OC1(C)C
InChIInChI=1S/C13H16BNO3/c1-12(2)13(3,4)18-14(17-12)10-7-9-5-6-16-11(9)15-8-10/h5-8H,1-4H3
InChIKeyPWNZOGLNPAOHSL-UHFFFAOYSA-N
MW245.09 g/mol
LogP2.13
Rot. Bonds1

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

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furo[2,3-b]pyridine (PubChem CID 66733614) has the molecular formula C13H16BNO3 and a molecular weight of 245.09 g/mol. Its IUPAC name is 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furo[2,3-b]pyridine
PubChem CID66733614
Molecular FormulaC13H16BNO3
Molecular Weight245.09 g/mol
Exact Mass245.12
IUPAC Name5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furo[2,3-b]pyridine
SMILESCC1(C)OB(c2cnc3occc3c2)OC1(C)C
InChIInChI=1S/C13H16BNO3/c1-12(2)13(3,4)18-14(17-12)10-7-9-5-6-16-11(9)15-8-10/h5-8H,1-4H3
InChIKeyPWNZOGLNPAOHSL-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 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furo[2,3-b]pyridine with MolForge

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Related Compounds

Furo[2,3-b]pyridine-2-carbaldehyde
CID 642125
Furo[2,3-b]pyridine
CID 12421098
5-Bromofuro[2,3-b]pyridine
CID 10679449
Furo[2,3-b]pyridine-5-carboxylic acid
CID 14372168
5-Bromofuro[2,3-b]pyridine-2-carbaldehyde
CID 50987380
Furo(2,3-c)isoquinoline
CID 45257578
4-Trifluoromethylfuro[2,3-b]pyridine
CID 133059845
Furo(2,3-b)pyridine-5-carbonitrile
CID 10820652
3-Bromofuro(2,3-b)pyridine
CID 641476
Furo[2,3-b]pyridine, 3-(1-methylethyl)-(9CI)
CID 15274367
3-Methylfuro[2,3-b]pyridine
CID 15743081
3-[[4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]furo[2,3-b]pyridine
CID 9839927

Frequently Asked Questions

What is the IUPAC name of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furo[2,3-b]pyridine?
The IUPAC name of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furo[2,3-b]pyridine (CID 66733614) is 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furo[2,3-b]pyridine.
What is the SMILES notation for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furo[2,3-b]pyridine?
The canonical SMILES for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furo[2,3-b]pyridine is CC1(C)OB(c2cnc3occc3c2)OC1(C)C.
What is the InChIKey of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furo[2,3-b]pyridine?
The InChIKey is PWNZOGLNPAOHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BNO3/c1-12(2)13(3,4)18-14(17-12)10-7-9-5-6-16-11(9)15-8-10/h5-8H,1-4H3.
What are the key properties of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furo[2,3-b]pyridine?
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furo[2,3-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 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furo[2,3-b]pyridine is sourced from PubChem (CID 66733614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).