3-(4,6-dipyridin-3-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;ethane

C17H18B3N3O3 — CID 143111998

IUPAC3-(4,6-dipyridin-3-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;ethane
SMILESCC.c1cncc(B2OB(c3cccnc3)OB(c3cccnc3)O2)c1
InChIInChI=1S/C15H12B3N3O3.C2H6/c1-4-13(10-19-7-1)16-22-17(14-5-2-8-20-11-14)24-18(23-16)15-6-3-9-21-12-15;1-2/h1-12H;1-2H3
InChIKeyPNCVXGWTGCOBGN-UHFFFAOYSA-N
MW344.79 g/mol
LogP0.45
Rot. Bonds3

About 3-(4,6-dipyridin-3-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;ethane

3-(4,6-dipyridin-3-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;ethane (PubChem CID 143111998) has the molecular formula C17H18B3N3O3 and a molecular weight of 344.79 g/mol. Its IUPAC name is 3-(4,6-dipyridin-3-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;ethane.

Molecular Properties

Compound Name3-(4,6-dipyridin-3-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;ethane
PubChem CID143111998
Molecular FormulaC17H18B3N3O3
Molecular Weight344.79 g/mol
Exact Mass345.16
IUPAC Name3-(4,6-dipyridin-3-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;ethane
SMILESCC.c1cncc(B2OB(c3cccnc3)OB(c3cccnc3)O2)c1
InChIInChI=1S/C15H12B3N3O3.C2H6/c1-4-13(10-19-7-1)16-22-17(14-5-2-8-20-11-14)24-18(23-16)15-6-3-9-21-12-15;1-2/h1-12H;1-2H3
InChIKeyPNCVXGWTGCOBGN-UHFFFAOYSA-N
XLogP0.45
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.79
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethane;3-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 144746462
4-(4,6-dipyridin-4-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine
CID 3391847
ethane;3-methylpyridine;hydroiodide
CID 143140941
pyridin-3-olate
CID 14387722
3-bromopyridine
CID 143579676
pyridin-3-ylastatine
CID 140653645
3-[4,4,5-trimethyl-5-[(sulfonylamino)methyl]-1,3,2-dioxaborolan-2-yl]pyridine
CID 141384752
dimethyl-phenyl-pyridin-3-ylsilane
CID 24822234
N,N-dimethylmethanamine;ethane;3-methylpyridine
CID 142096313
2,4,6-tris(3-methylphenyl)-1,3,5,2,4,6-trioxatriborinane
CID 12711337
ethane;N-methylpyridin-3-amine
CID 91430147
ethane;methoxymethane;bis(3-methylpyridine)
CID 159558388

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dipyridin-3-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;ethane?
The IUPAC name of 3-(4,6-dipyridin-3-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;ethane (CID 143111998) is 3-(4,6-dipyridin-3-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;ethane.
What is the SMILES notation for 3-(4,6-dipyridin-3-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;ethane?
The canonical SMILES for 3-(4,6-dipyridin-3-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;ethane is CC.c1cncc(B2OB(c3cccnc3)OB(c3cccnc3)O2)c1.
What is the InChIKey of 3-(4,6-dipyridin-3-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;ethane?
The InChIKey is PNCVXGWTGCOBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12B3N3O3.C2H6/c1-4-13(10-19-7-1)16-22-17(14-5-2-8-20-11-14)24-18(23-16)15-6-3-9-21-12-15;1-2/h1-12H;1-2H3.
What are the key properties of 3-(4,6-dipyridin-3-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;ethane?
3-(4,6-dipyridin-3-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;ethane has a molecular weight of 344.79 g/mol, XLogP of 0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dipyridin-3-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;ethane is sourced from PubChem (CID 143111998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).