2-bromo-6-(dibromomethyl)pyridine

C6H4Br3N — CID 11716914

IUPAC2-bromo-6-(dibromomethyl)pyridine
SMILESBrc1cccc(C(Br)Br)n1
InChIInChI=1S/C6H4Br3N/c7-5-3-1-2-4(10-5)6(8)9/h1-3,6H
InChIKeyDADDHGFITKVJIW-UHFFFAOYSA-N
MW329.82 g/mol
LogP3.63
Rot. Bonds1

About 2-bromo-6-(dibromomethyl)pyridine

2-bromo-6-(dibromomethyl)pyridine (PubChem CID 11716914) has the molecular formula C6H4Br3N and a molecular weight of 329.82 g/mol. Its IUPAC name is 2-bromo-6-(dibromomethyl)pyridine.

Molecular Properties

Compound Name2-bromo-6-(dibromomethyl)pyridine
PubChem CID11716914
Molecular FormulaC6H4Br3N
Molecular Weight329.82 g/mol
Exact Mass326.79
IUPAC Name2-bromo-6-(dibromomethyl)pyridine
SMILESBrc1cccc(C(Br)Br)n1
InChIInChI=1S/C6H4Br3N/c7-5-3-1-2-4(10-5)6(8)9/h1-3,6H
InChIKeyDADDHGFITKVJIW-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
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-bromo-6-(dibromomethyl)pyridine?
The IUPAC name of 2-bromo-6-(dibromomethyl)pyridine (CID 11716914) is 2-bromo-6-(dibromomethyl)pyridine.
What is the SMILES notation for 2-bromo-6-(dibromomethyl)pyridine?
The canonical SMILES for 2-bromo-6-(dibromomethyl)pyridine is Brc1cccc(C(Br)Br)n1.
What is the InChIKey of 2-bromo-6-(dibromomethyl)pyridine?
The InChIKey is DADDHGFITKVJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br3N/c7-5-3-1-2-4(10-5)6(8)9/h1-3,6H.
What are the key properties of 2-bromo-6-(dibromomethyl)pyridine?
2-bromo-6-(dibromomethyl)pyridine has a molecular weight of 329.82 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(dibromomethyl)pyridine is sourced from PubChem (CID 11716914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).