2,4,6-tris(6-bromo-3-pyridinyl)pyridine

C20H11Br3N4 — CID 153292173

IUPAC2,4,6-tris(6-bromo-3-pyridinyl)pyridine
SMILESBrc1ccc(-c2cc(-c3ccc(Br)nc3)nc(-c3ccc(Br)nc3)c2)cn1
InChIInChI=1S/C20H11Br3N4/c21-18-4-1-12(9-24-18)15-7-16(13-2-5-19(22)25-10-13)27-17(8-15)14-3-6-20(23)26-11-14/h1-11H
InChIKeyFZEMDJXQXASPCL-UHFFFAOYSA-N
MW547.05 g/mol
LogP6.56
Rot. Bonds3

About 2,4,6-tris(6-bromo-3-pyridinyl)pyridine

2,4,6-tris(6-bromo-3-pyridinyl)pyridine (PubChem CID 153292173) has the molecular formula C20H11Br3N4 and a molecular weight of 547.05 g/mol. Its IUPAC name is 2,4,6-tris(6-bromo-3-pyridinyl)pyridine.

Molecular Properties

Compound Name2,4,6-tris(6-bromo-3-pyridinyl)pyridine
PubChem CID153292173
Molecular FormulaC20H11Br3N4
Molecular Weight547.05 g/mol
Exact Mass543.85
IUPAC Name2,4,6-tris(6-bromo-3-pyridinyl)pyridine
SMILESBrc1ccc(-c2cc(-c3ccc(Br)nc3)nc(-c3ccc(Br)nc3)c2)cn1
InChIInChI=1S/C20H11Br3N4/c21-18-4-1-12(9-24-18)15-7-16(13-2-5-19(22)25-10-13)27-17(8-15)14-3-6-20(23)26-11-14/h1-11H
InChIKeyFZEMDJXQXASPCL-UHFFFAOYSA-N
XLogP6.56
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.05
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(6-bromo-3-pyridinyl)pyridine?
The IUPAC name of 2,4,6-tris(6-bromo-3-pyridinyl)pyridine (CID 153292173) is 2,4,6-tris(6-bromo-3-pyridinyl)pyridine.
What is the SMILES notation for 2,4,6-tris(6-bromo-3-pyridinyl)pyridine?
The canonical SMILES for 2,4,6-tris(6-bromo-3-pyridinyl)pyridine is Brc1ccc(-c2cc(-c3ccc(Br)nc3)nc(-c3ccc(Br)nc3)c2)cn1.
What is the InChIKey of 2,4,6-tris(6-bromo-3-pyridinyl)pyridine?
The InChIKey is FZEMDJXQXASPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Br3N4/c21-18-4-1-12(9-24-18)15-7-16(13-2-5-19(22)25-10-13)27-17(8-15)14-3-6-20(23)26-11-14/h1-11H.
What are the key properties of 2,4,6-tris(6-bromo-3-pyridinyl)pyridine?
2,4,6-tris(6-bromo-3-pyridinyl)pyridine has a molecular weight of 547.05 g/mol, XLogP of 6.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(6-bromo-3-pyridinyl)pyridine is sourced from PubChem (CID 153292173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).