2,6-dibromo-3-(bromomethyl)pyridine

C6H4Br3N — CID 817159

IUPAC2,6-dibromo-3-(bromomethyl)pyridine
SMILESBrCc1ccc(Br)nc1Br
InChIInChI=1S/C6H4Br3N/c7-3-4-1-2-5(8)10-6(4)9/h1-2H,3H2
InChIKeyAJUZSMABBXCOER-UHFFFAOYSA-N
MW329.82 g/mol
LogP3.50
Rot. Bonds1

About 2,6-dibromo-3-(bromomethyl)pyridine

2,6-dibromo-3-(bromomethyl)pyridine (PubChem CID 817159) has the molecular formula C6H4Br3N and a molecular weight of 329.82 g/mol. Its IUPAC name is 2,6-dibromo-3-(bromomethyl)pyridine.

Molecular Properties

Compound Name2,6-dibromo-3-(bromomethyl)pyridine
PubChem CID817159
Molecular FormulaC6H4Br3N
Molecular Weight329.82 g/mol
Exact Mass326.79
IUPAC Name2,6-dibromo-3-(bromomethyl)pyridine
SMILESBrCc1ccc(Br)nc1Br
InChIInChI=1S/C6H4Br3N/c7-3-4-1-2-5(8)10-6(4)9/h1-2H,3H2
InChIKeyAJUZSMABBXCOER-UHFFFAOYSA-N
XLogP3.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.82
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-3-(bromomethyl)pyridine?
The IUPAC name of 2,6-dibromo-3-(bromomethyl)pyridine (CID 817159) is 2,6-dibromo-3-(bromomethyl)pyridine.
What is the SMILES notation for 2,6-dibromo-3-(bromomethyl)pyridine?
The canonical SMILES for 2,6-dibromo-3-(bromomethyl)pyridine is BrCc1ccc(Br)nc1Br.
What is the InChIKey of 2,6-dibromo-3-(bromomethyl)pyridine?
The InChIKey is AJUZSMABBXCOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br3N/c7-3-4-1-2-5(8)10-6(4)9/h1-2H,3H2.
What are the key properties of 2,6-dibromo-3-(bromomethyl)pyridine?
2,6-dibromo-3-(bromomethyl)pyridine has a molecular weight of 329.82 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-3-(bromomethyl)pyridine is sourced from PubChem (CID 817159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).