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

C15H12B3N3O3 — CID 3391847

IUPAC4-(4,6-dipyridin-4-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine
SMILESc1cc(B2OB(c3ccncc3)OB(c3ccncc3)O2)ccn1
InChIInChI=1S/C15H12B3N3O3/c1-7-19-8-2-13(1)16-22-17(14-3-9-20-10-4-14)24-18(23-16)15-5-11-21-12-6-15/h1-12H
InChIKeyUACYUASFRMWNBO-UHFFFAOYSA-N
MW314.72 g/mol
LogP-0.58
Rot. Bonds3

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

4-(4,6-dipyridin-4-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine (PubChem CID 3391847) has the molecular formula C15H12B3N3O3 and a molecular weight of 314.72 g/mol. Its IUPAC name is 4-(4,6-dipyridin-4-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine.

Molecular Properties

Compound Name4-(4,6-dipyridin-4-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine
PubChem CID3391847
Molecular FormulaC15H12B3N3O3
Molecular Weight314.72 g/mol
Exact Mass315.12
IUPAC Name4-(4,6-dipyridin-4-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine
SMILESc1cc(B2OB(c3ccncc3)OB(c3ccncc3)O2)ccn1
InChIInChI=1S/C15H12B3N3O3/c1-7-19-8-2-13(1)16-22-17(14-3-9-20-10-4-14)24-18(23-16)15-5-11-21-12-6-15/h1-12H
InChIKeyUACYUASFRMWNBO-UHFFFAOYSA-N
XLogP-0.58
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.72
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 4-(4,6-dipyridin-4-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine?
The IUPAC name of 4-(4,6-dipyridin-4-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine (CID 3391847) is 4-(4,6-dipyridin-4-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine.
What is the SMILES notation for 4-(4,6-dipyridin-4-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine?
The canonical SMILES for 4-(4,6-dipyridin-4-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine is c1cc(B2OB(c3ccncc3)OB(c3ccncc3)O2)ccn1.
What is the InChIKey of 4-(4,6-dipyridin-4-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine?
The InChIKey is UACYUASFRMWNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12B3N3O3/c1-7-19-8-2-13(1)16-22-17(14-3-9-20-10-4-14)24-18(23-16)15-5-11-21-12-6-15/h1-12H.
What are the key properties of 4-(4,6-dipyridin-4-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine?
4-(4,6-dipyridin-4-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine has a molecular weight of 314.72 g/mol, XLogP of -0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dipyridin-4-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine is sourced from PubChem (CID 3391847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).