2,5-dibromo-4-(2,5-dibromo-4-pyridinyl)pyridine

C10H4Br4N2 — CID 46220752

IUPAC2,5-dibromo-4-(2,5-dibromo-4-pyridinyl)pyridine
SMILESBrc1cc(-c2cc(Br)ncc2Br)c(Br)cn1
InChIInChI=1S/C10H4Br4N2/c11-7-3-15-9(13)1-5(7)6-2-10(14)16-4-8(6)12/h1-4H
InChIKeyBJKGPVXTOVUEJW-UHFFFAOYSA-N
MW471.77 g/mol
LogP5.19
Rot. Bonds1

About 2,5-dibromo-4-(2,5-dibromo-4-pyridinyl)pyridine

2,5-dibromo-4-(2,5-dibromo-4-pyridinyl)pyridine (PubChem CID 46220752) has the molecular formula C10H4Br4N2 and a molecular weight of 471.77 g/mol. Its IUPAC name is 2,5-dibromo-4-(2,5-dibromo-4-pyridinyl)pyridine.

Molecular Properties

Compound Name2,5-dibromo-4-(2,5-dibromo-4-pyridinyl)pyridine
PubChem CID46220752
Molecular FormulaC10H4Br4N2
Molecular Weight471.77 g/mol
Exact Mass467.71
IUPAC Name2,5-dibromo-4-(2,5-dibromo-4-pyridinyl)pyridine
SMILESBrc1cc(-c2cc(Br)ncc2Br)c(Br)cn1
InChIInChI=1S/C10H4Br4N2/c11-7-3-15-9(13)1-5(7)6-2-10(14)16-4-8(6)12/h1-4H
InChIKeyBJKGPVXTOVUEJW-UHFFFAOYSA-N
XLogP5.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.77
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,5-dibromo-4-(2,5-dibromo-4-pyridinyl)pyridine?
The IUPAC name of 2,5-dibromo-4-(2,5-dibromo-4-pyridinyl)pyridine (CID 46220752) is 2,5-dibromo-4-(2,5-dibromo-4-pyridinyl)pyridine.
What is the SMILES notation for 2,5-dibromo-4-(2,5-dibromo-4-pyridinyl)pyridine?
The canonical SMILES for 2,5-dibromo-4-(2,5-dibromo-4-pyridinyl)pyridine is Brc1cc(-c2cc(Br)ncc2Br)c(Br)cn1.
What is the InChIKey of 2,5-dibromo-4-(2,5-dibromo-4-pyridinyl)pyridine?
The InChIKey is BJKGPVXTOVUEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Br4N2/c11-7-3-15-9(13)1-5(7)6-2-10(14)16-4-8(6)12/h1-4H.
What are the key properties of 2,5-dibromo-4-(2,5-dibromo-4-pyridinyl)pyridine?
2,5-dibromo-4-(2,5-dibromo-4-pyridinyl)pyridine has a molecular weight of 471.77 g/mol, XLogP of 5.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-4-(2,5-dibromo-4-pyridinyl)pyridine is sourced from PubChem (CID 46220752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).