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

C16H26BNO2 — CID 102205523

IUPAC2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl]pyridine
SMILESCCCC(Cc1ccccn1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H26BNO2/c1-6-9-13(12-14-10-7-8-11-18-14)17-19-15(2,3)16(4,5)20-17/h7-8,10-11,13H,6,9,12H2,1-5H3
InChIKeyPKXACVJFQUZHMV-UHFFFAOYSA-N
MW275.20 g/mol
LogP3.89
Rot. Bonds5

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

2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl]pyridine (PubChem CID 102205523) has the molecular formula C16H26BNO2 and a molecular weight of 275.20 g/mol. Its IUPAC name is 2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl]pyridine.

Molecular Properties

Compound Name2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl]pyridine
PubChem CID102205523
Molecular FormulaC16H26BNO2
Molecular Weight275.20 g/mol
Exact Mass275.21
IUPAC Name2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl]pyridine
SMILESCCCC(Cc1ccccn1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H26BNO2/c1-6-9-13(12-14-10-7-8-11-18-14)17-19-15(2,3)16(4,5)20-17/h7-8,10-11,13H,6,9,12H2,1-5H3
InChIKeyPKXACVJFQUZHMV-UHFFFAOYSA-N
XLogP3.89
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.20
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl]pyridine?
The IUPAC name of 2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl]pyridine (CID 102205523) is 2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl]pyridine.
What is the SMILES notation for 2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl]pyridine?
The canonical SMILES for 2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl]pyridine is CCCC(Cc1ccccn1)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl]pyridine?
The InChIKey is PKXACVJFQUZHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BNO2/c1-6-9-13(12-14-10-7-8-11-18-14)17-19-15(2,3)16(4,5)20-17/h7-8,10-11,13H,6,9,12H2,1-5H3.
What are the key properties of 2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl]pyridine?
2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl]pyridine has a molecular weight of 275.20 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl]pyridine is sourced from PubChem (CID 102205523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).