2-butan-2-yl-6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C16H26BNO2 — CID 172645071

IUPAC2-butan-2-yl-6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCCC(C)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C)n1
InChIInChI=1S/C16H26BNO2/c1-8-11(2)14-10-13(9-12(3)18-14)17-19-15(4,5)16(6,7)20-17/h9-11H,8H2,1-7H3
InChIKeyHUNCVRYPYXZAGA-UHFFFAOYSA-N
MW275.20 g/mol
LogP3.20
Rot. Bonds3

About 2-butan-2-yl-6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

2-butan-2-yl-6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 172645071) has the molecular formula C16H26BNO2 and a molecular weight of 275.20 g/mol. Its IUPAC name is 2-butan-2-yl-6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

Compound Name2-butan-2-yl-6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
PubChem CID172645071
Molecular FormulaC16H26BNO2
Molecular Weight275.20 g/mol
Exact Mass275.21
IUPAC Name2-butan-2-yl-6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCCC(C)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C)n1
InChIInChI=1S/C16H26BNO2/c1-8-11(2)14-10-13(9-12(3)18-14)17-19-15(4,5)16(6,7)20-17/h9-11H,8H2,1-7H3
InChIKeyHUNCVRYPYXZAGA-UHFFFAOYSA-N
XLogP3.20
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.20
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-butan-2-yl-6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The IUPAC name of 2-butan-2-yl-6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 172645071) is 2-butan-2-yl-6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
What is the SMILES notation for 2-butan-2-yl-6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The canonical SMILES for 2-butan-2-yl-6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is CCC(C)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C)n1.
What is the InChIKey of 2-butan-2-yl-6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The InChIKey is HUNCVRYPYXZAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BNO2/c1-8-11(2)14-10-13(9-12(3)18-14)17-19-15(4,5)16(6,7)20-17/h9-11H,8H2,1-7H3.
What are the key properties of 2-butan-2-yl-6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
2-butan-2-yl-6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 275.20 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 172645071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).