2,6-bis(6-bromo-2-pyridinyl)pyridine

C15H9Br2N3 — CID 4226981

IUPAC2,6-bis(6-bromo-2-pyridinyl)pyridine
SMILESBrc1cccc(-c2cccc(-c3cccc(Br)n3)n2)n1
InChIInChI=1S/C15H9Br2N3/c16-14-8-2-6-12(19-14)10-4-1-5-11(18-10)13-7-3-9-15(17)20-13/h1-9H
InChIKeyPYMBATDYUCQLBC-UHFFFAOYSA-N
MW391.07 g/mol
LogP4.73
Rot. Bonds2

About 2,6-bis(6-bromo-2-pyridinyl)pyridine

2,6-bis(6-bromo-2-pyridinyl)pyridine (PubChem CID 4226981) has the molecular formula C15H9Br2N3 and a molecular weight of 391.07 g/mol. Its IUPAC name is 2,6-bis(6-bromo-2-pyridinyl)pyridine.

Molecular Properties

Compound Name2,6-bis(6-bromo-2-pyridinyl)pyridine
PubChem CID4226981
Molecular FormulaC15H9Br2N3
Molecular Weight391.07 g/mol
Exact Mass388.92
IUPAC Name2,6-bis(6-bromo-2-pyridinyl)pyridine
SMILESBrc1cccc(-c2cccc(-c3cccc(Br)n3)n2)n1
InChIInChI=1S/C15H9Br2N3/c16-14-8-2-6-12(19-14)10-4-1-5-11(18-10)13-7-3-9-15(17)20-13/h1-9H
InChIKeyPYMBATDYUCQLBC-UHFFFAOYSA-N
XLogP4.73
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.07
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2,6-bis(6-bromo-2-pyridinyl)pyridine?
The IUPAC name of 2,6-bis(6-bromo-2-pyridinyl)pyridine (CID 4226981) is 2,6-bis(6-bromo-2-pyridinyl)pyridine.
What is the SMILES notation for 2,6-bis(6-bromo-2-pyridinyl)pyridine?
The canonical SMILES for 2,6-bis(6-bromo-2-pyridinyl)pyridine is Brc1cccc(-c2cccc(-c3cccc(Br)n3)n2)n1.
What is the InChIKey of 2,6-bis(6-bromo-2-pyridinyl)pyridine?
The InChIKey is PYMBATDYUCQLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Br2N3/c16-14-8-2-6-12(19-14)10-4-1-5-11(18-10)13-7-3-9-15(17)20-13/h1-9H.
What are the key properties of 2,6-bis(6-bromo-2-pyridinyl)pyridine?
2,6-bis(6-bromo-2-pyridinyl)pyridine has a molecular weight of 391.07 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(6-bromo-2-pyridinyl)pyridine is sourced from PubChem (CID 4226981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).