pyridine;2,4,6-tris(ethenyl)-1,3,5,2,4,6-trioxatriborinane

C11H14B3NO3 — CID 2734806

IUPACpyridine;2,4,6-tris(ethenyl)-1,3,5,2,4,6-trioxatriborinane
SMILESC=CB1OB(C=C)OB(C=C)O1.c1ccncc1
InChIInChI=1S/C6H9B3O3.C5H5N/c1-4-7-10-8(5-2)12-9(6-3)11-7;1-2-4-6-5-3-1/h4-6H,1-3H2;1-5H
InChIKeyYLHJACXHRQQNQR-UHFFFAOYSA-N
MW240.67 g/mol
LogP1.77
Rot. Bonds3

About pyridine;2,4,6-tris(ethenyl)-1,3,5,2,4,6-trioxatriborinane

pyridine;2,4,6-tris(ethenyl)-1,3,5,2,4,6-trioxatriborinane (PubChem CID 2734806) has the molecular formula C11H14B3NO3 and a molecular weight of 240.67 g/mol. Its IUPAC name is pyridine;2,4,6-tris(ethenyl)-1,3,5,2,4,6-trioxatriborinane.

Molecular Properties

Compound Namepyridine;2,4,6-tris(ethenyl)-1,3,5,2,4,6-trioxatriborinane
PubChem CID2734806
Molecular FormulaC11H14B3NO3
Molecular Weight240.67 g/mol
Exact Mass241.13
IUPAC Namepyridine;2,4,6-tris(ethenyl)-1,3,5,2,4,6-trioxatriborinane
SMILESC=CB1OB(C=C)OB(C=C)O1.c1ccncc1
InChIInChI=1S/C6H9B3O3.C5H5N/c1-4-7-10-8(5-2)12-9(6-3)11-7;1-2-4-6-5-3-1/h4-6H,1-3H2;1-5H
InChIKeyYLHJACXHRQQNQR-UHFFFAOYSA-N
XLogP1.77
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 pyridine;2,4,6-tris(ethenyl)-1,3,5,2,4,6-trioxatriborinane?
The IUPAC name of pyridine;2,4,6-tris(ethenyl)-1,3,5,2,4,6-trioxatriborinane (CID 2734806) is pyridine;2,4,6-tris(ethenyl)-1,3,5,2,4,6-trioxatriborinane.
What is the SMILES notation for pyridine;2,4,6-tris(ethenyl)-1,3,5,2,4,6-trioxatriborinane?
The canonical SMILES for pyridine;2,4,6-tris(ethenyl)-1,3,5,2,4,6-trioxatriborinane is C=CB1OB(C=C)OB(C=C)O1.c1ccncc1.
What is the InChIKey of pyridine;2,4,6-tris(ethenyl)-1,3,5,2,4,6-trioxatriborinane?
The InChIKey is YLHJACXHRQQNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9B3O3.C5H5N/c1-4-7-10-8(5-2)12-9(6-3)11-7;1-2-4-6-5-3-1/h4-6H,1-3H2;1-5H.
What are the key properties of pyridine;2,4,6-tris(ethenyl)-1,3,5,2,4,6-trioxatriborinane?
pyridine;2,4,6-tris(ethenyl)-1,3,5,2,4,6-trioxatriborinane has a molecular weight of 240.67 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine;2,4,6-tris(ethenyl)-1,3,5,2,4,6-trioxatriborinane is sourced from PubChem (CID 2734806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).