N-[(3,5-dibromo-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine

C₁₂H₁₁Br₂N₃ — CID 113393640

About N-[(3,5-dibromo-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine

N-[(3,5-dibromo-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine (PubChem CID 113393640) has the molecular formula C₁₂H₁₁Br₂N₃ and a molecular weight of 357.05 g/mol. Its IUPAC name is N-[(3,5-dibromo-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine.

Molecular Properties

• Compound Name: N-[(3,5-dibromo-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine
• PubChem CID: 113393640
• Molecular Formula: C₁₂H₁₁Br₂N₃
• Molecular Weight: 357.05 g/mol
• Exact Mass: 354.93
• IUPAC Name: N-[(3,5-dibromo-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine
• SMILES: Brc1cnc(CNCc2ccccn2)c(Br)c1
• InChI: InChI=1S/C12H11Br2N3/c13-9-5-11(14)12(17-6-9)8-15-7-10-3-1-2-4-16-10/h1-6,15H,7-8H2
• InChIKey: AFZPKTJIDZRQJT-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 37.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.05
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine?

The IUPAC name of N-[(3,5-dibromo-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine (CID 113393640) is N-[(3,5-dibromo-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine.

What is the SMILES notation for N-[(3,5-dibromo-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine?

The canonical SMILES for N-[(3,5-dibromo-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine is Brc1cnc(CNCc2ccccn2)c(Br)c1.

What is the InChIKey of N-[(3,5-dibromo-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine?

The InChIKey is AFZPKTJIDZRQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2N3/c13-9-5-11(14)12(17-6-9)8-15-7-10-3-1-2-4-16-10/h1-6,15H,7-8H2.

What are the key properties of N-[(3,5-dibromo-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine?

N-[(3,5-dibromo-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine has a molecular weight of 357.05 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,5-dibromo-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 113393640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 113393640 — identifiers, structure, computed properties (public domain)

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