2,6-bis(6-bromo-2-pyridinyl)-4-phenylpyridine

C21H13Br2N3 — CID 12786938

IUPAC2,6-bis(6-bromo-2-pyridinyl)-4-phenylpyridine
SMILESBrc1cccc(-c2cc(-c3ccccc3)cc(-c3cccc(Br)n3)n2)n1
InChIInChI=1S/C21H13Br2N3/c22-20-10-4-8-16(25-20)18-12-15(14-6-2-1-3-7-14)13-19(24-18)17-9-5-11-21(23)26-17/h1-13H
InChIKeyWSNWPGCJPUEVAR-UHFFFAOYSA-N
MW467.16 g/mol
LogP6.40
Rot. Bonds3

About 2,6-bis(6-bromo-2-pyridinyl)-4-phenylpyridine

2,6-bis(6-bromo-2-pyridinyl)-4-phenylpyridine (PubChem CID 12786938) has the molecular formula C21H13Br2N3 and a molecular weight of 467.16 g/mol. Its IUPAC name is 2,6-bis(6-bromo-2-pyridinyl)-4-phenylpyridine.

Molecular Properties

Compound Name2,6-bis(6-bromo-2-pyridinyl)-4-phenylpyridine
PubChem CID12786938
Molecular FormulaC21H13Br2N3
Molecular Weight467.16 g/mol
Exact Mass464.95
IUPAC Name2,6-bis(6-bromo-2-pyridinyl)-4-phenylpyridine
SMILESBrc1cccc(-c2cc(-c3ccccc3)cc(-c3cccc(Br)n3)n2)n1
InChIInChI=1S/C21H13Br2N3/c22-20-10-4-8-16(25-20)18-12-15(14-6-2-1-3-7-14)13-19(24-18)17-9-5-11-21(23)26-17/h1-13H
InChIKeyWSNWPGCJPUEVAR-UHFFFAOYSA-N
XLogP6.40
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.16
LogP ≤ 56.40
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)-4-phenylpyridine?
The IUPAC name of 2,6-bis(6-bromo-2-pyridinyl)-4-phenylpyridine (CID 12786938) is 2,6-bis(6-bromo-2-pyridinyl)-4-phenylpyridine.
What is the SMILES notation for 2,6-bis(6-bromo-2-pyridinyl)-4-phenylpyridine?
The canonical SMILES for 2,6-bis(6-bromo-2-pyridinyl)-4-phenylpyridine is Brc1cccc(-c2cc(-c3ccccc3)cc(-c3cccc(Br)n3)n2)n1.
What is the InChIKey of 2,6-bis(6-bromo-2-pyridinyl)-4-phenylpyridine?
The InChIKey is WSNWPGCJPUEVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Br2N3/c22-20-10-4-8-16(25-20)18-12-15(14-6-2-1-3-7-14)13-19(24-18)17-9-5-11-21(23)26-17/h1-13H.
What are the key properties of 2,6-bis(6-bromo-2-pyridinyl)-4-phenylpyridine?
2,6-bis(6-bromo-2-pyridinyl)-4-phenylpyridine has a molecular weight of 467.16 g/mol, XLogP of 6.40, 3 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)-4-phenylpyridine is sourced from PubChem (CID 12786938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).