2,6-dibromo-4-pyridin-4-ylaniline

C₁₁H₈Br₂N₂ — CID 156546882

About 2,6-dibromo-4-pyridin-4-ylaniline

2,6-dibromo-4-pyridin-4-ylaniline (PubChem CID 156546882) has the molecular formula C₁₁H₈Br₂N₂ and a molecular weight of 328.01 g/mol. Its IUPAC name is 2,6-dibromo-4-pyridin-4-ylaniline.

Molecular Properties

• Compound Name: 2,6-dibromo-4-pyridin-4-ylaniline
• PubChem CID: 156546882
• Molecular Formula: C₁₁H₈Br₂N₂
• Molecular Weight: 328.01 g/mol
• Exact Mass: 325.91
• IUPAC Name: 2,6-dibromo-4-pyridin-4-ylaniline
• SMILES: Nc1c(Br)cc(-c2ccncc2)cc1Br
• InChI: InChI=1S/C11H8Br2N2/c12-9-5-8(6-10(13)11(9)14)7-1-3-15-4-2-7/h1-6H,14H2
• InChIKey: HCXQQPNTFCPYSW-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 38.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.01
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-pyridin-4-ylaniline?

The IUPAC name of 2,6-dibromo-4-pyridin-4-ylaniline (CID 156546882) is 2,6-dibromo-4-pyridin-4-ylaniline.

What is the SMILES notation for 2,6-dibromo-4-pyridin-4-ylaniline?

The canonical SMILES for 2,6-dibromo-4-pyridin-4-ylaniline is Nc1c(Br)cc(-c2ccncc2)cc1Br.

What is the InChIKey of 2,6-dibromo-4-pyridin-4-ylaniline?

The InChIKey is HCXQQPNTFCPYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2N2/c12-9-5-8(6-10(13)11(9)14)7-1-3-15-4-2-7/h1-6H,14H2.

What are the key properties of 2,6-dibromo-4-pyridin-4-ylaniline?

2,6-dibromo-4-pyridin-4-ylaniline has a molecular weight of 328.01 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dibromo-4-pyridin-4-ylaniline is sourced from PubChem (CID 156546882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156546882 — identifiers, structure, computed properties (public domain)

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