3-(2-methylpropyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C15H24BNO2 — CID 102200000

IUPAC3-(2-methylpropyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC(C)Cc1cncc(B2OC(C)(C)C(C)(C)O2)c1
InChIInChI=1S/C15H24BNO2/c1-11(2)7-12-8-13(10-17-9-12)16-18-14(3,4)15(5,6)19-16/h8-11H,7H2,1-6H3
InChIKeyZQMXELRXHARSDA-UHFFFAOYSA-N
MW261.17 g/mol
LogP2.58
Rot. Bonds3

About 3-(2-methylpropyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

3-(2-methylpropyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 102200000) has the molecular formula C15H24BNO2 and a molecular weight of 261.17 g/mol. Its IUPAC name is 3-(2-methylpropyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

Compound Name3-(2-methylpropyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
PubChem CID102200000
Molecular FormulaC15H24BNO2
Molecular Weight261.17 g/mol
Exact Mass261.19
IUPAC Name3-(2-methylpropyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC(C)Cc1cncc(B2OC(C)(C)C(C)(C)O2)c1
InChIInChI=1S/C15H24BNO2/c1-11(2)7-12-8-13(10-17-9-12)16-18-14(3,4)15(5,6)19-16/h8-11H,7H2,1-6H3
InChIKeyZQMXELRXHARSDA-UHFFFAOYSA-N
XLogP2.58
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.17
LogP ≤ 52.58
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 3-(2-methylpropyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The IUPAC name of 3-(2-methylpropyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 102200000) is 3-(2-methylpropyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
What is the SMILES notation for 3-(2-methylpropyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The canonical SMILES for 3-(2-methylpropyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is CC(C)Cc1cncc(B2OC(C)(C)C(C)(C)O2)c1.
What is the InChIKey of 3-(2-methylpropyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The InChIKey is ZQMXELRXHARSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BNO2/c1-11(2)7-12-8-13(10-17-9-12)16-18-14(3,4)15(5,6)19-16/h8-11H,7H2,1-6H3.
What are the key properties of 3-(2-methylpropyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
3-(2-methylpropyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 261.17 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 102200000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).