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

C15H22BNO2 — CID 57416557

IUPAC2,3-dimethyl-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
SMILESCc1nccc(/C=C/B2OC(C)(C)C(C)(C)O2)c1C
InChIInChI=1S/C15H22BNO2/c1-11-12(2)17-10-8-13(11)7-9-16-18-14(3,4)15(5,6)19-16/h7-10H,1-6H3/b9-7+
InChIKeyYLMDPSGMOSPRIG-VQHVLOKHSA-N
MW259.16 g/mol
LogP3.34
Rot. Bonds2

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

2,3-dimethyl-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine (PubChem CID 57416557) has the molecular formula C15H22BNO2 and a molecular weight of 259.16 g/mol. Its IUPAC name is 2,3-dimethyl-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine.

Molecular Properties

Compound Name2,3-dimethyl-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
PubChem CID57416557
Molecular FormulaC15H22BNO2
Molecular Weight259.16 g/mol
Exact Mass259.17
IUPAC Name2,3-dimethyl-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
SMILESCc1nccc(/C=C/B2OC(C)(C)C(C)(C)O2)c1C
InChIInChI=1S/C15H22BNO2/c1-11-12(2)17-10-8-13(11)7-9-16-18-14(3,4)15(5,6)19-16/h7-10H,1-6H3/b9-7+
InChIKeyYLMDPSGMOSPRIG-VQHVLOKHSA-N
XLogP3.34
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.16
LogP ≤ 53.34
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 2,3-dimethyl-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine?
The IUPAC name of 2,3-dimethyl-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine (CID 57416557) is 2,3-dimethyl-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine.
What is the SMILES notation for 2,3-dimethyl-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine?
The canonical SMILES for 2,3-dimethyl-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine is Cc1nccc(/C=C/B2OC(C)(C)C(C)(C)O2)c1C.
What is the InChIKey of 2,3-dimethyl-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine?
The InChIKey is YLMDPSGMOSPRIG-VQHVLOKHSA-N. The full InChI is InChI=1S/C15H22BNO2/c1-11-12(2)17-10-8-13(11)7-9-16-18-14(3,4)15(5,6)19-16/h7-10H,1-6H3/b9-7+.
What are the key properties of 2,3-dimethyl-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine?
2,3-dimethyl-4-[(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 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine is sourced from PubChem (CID 57416557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).