2-ethyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine

C15H22BNO2 — CID 57416551

IUPAC2-ethyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
SMILESCCc1cccc(/C=C/B2OC(C)(C)C(C)(C)O2)n1
InChIInChI=1S/C15H22BNO2/c1-6-12-8-7-9-13(17-12)10-11-16-18-14(2,3)15(4,5)19-16/h7-11H,6H2,1-5H3/b11-10+
InChIKeySBHNRJPWKMOJJD-ZHACJKMWSA-N
MW259.16 g/mol
LogP3.29
Rot. Bonds3

About 2-ethyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine

2-ethyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine (PubChem CID 57416551) has the molecular formula C15H22BNO2 and a molecular weight of 259.16 g/mol. Its IUPAC name is 2-ethyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine.

Molecular Properties

Compound Name2-ethyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
PubChem CID57416551
Molecular FormulaC15H22BNO2
Molecular Weight259.16 g/mol
Exact Mass259.17
IUPAC Name2-ethyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
SMILESCCc1cccc(/C=C/B2OC(C)(C)C(C)(C)O2)n1
InChIInChI=1S/C15H22BNO2/c1-6-12-8-7-9-13(17-12)10-11-16-18-14(2,3)15(4,5)19-16/h7-11H,6H2,1-5H3/b11-10+
InChIKeySBHNRJPWKMOJJD-ZHACJKMWSA-N
XLogP3.29
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.16
LogP ≤ 53.29
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-ethyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine?
The IUPAC name of 2-ethyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine (CID 57416551) is 2-ethyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine.
What is the SMILES notation for 2-ethyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine?
The canonical SMILES for 2-ethyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine is CCc1cccc(/C=C/B2OC(C)(C)C(C)(C)O2)n1.
What is the InChIKey of 2-ethyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine?
The InChIKey is SBHNRJPWKMOJJD-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H22BNO2/c1-6-12-8-7-9-13(17-12)10-11-16-18-14(2,3)15(4,5)19-16/h7-11H,6H2,1-5H3/b11-10+.
What are the key properties of 2-ethyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine?
2-ethyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine has a molecular weight of 259.16 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine is sourced from PubChem (CID 57416551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).