2-bromo-6-(bromomethyl)pyridine;hydrobromide

C6H6Br3N — CID 73012524

IUPAC2-bromo-6-(bromomethyl)pyridine;hydrobromide
SMILESBr.BrCc1cccc(Br)n1
InChIInChI=1S/C6H5Br2N.BrH/c7-4-5-2-1-3-6(8)9-5;/h1-3H,4H2;1H
InChIKeyYBXZCKCYSKEHTE-UHFFFAOYSA-N
MW331.83 g/mol
LogP3.32
Rot. Bonds1

About 2-bromo-6-(bromomethyl)pyridine;hydrobromide

2-bromo-6-(bromomethyl)pyridine;hydrobromide (PubChem CID 73012524) has the molecular formula C6H6Br3N and a molecular weight of 331.83 g/mol. Its IUPAC name is 2-bromo-6-(bromomethyl)pyridine;hydrobromide.

Molecular Properties

Compound Name2-bromo-6-(bromomethyl)pyridine;hydrobromide
PubChem CID73012524
Molecular FormulaC6H6Br3N
Molecular Weight331.83 g/mol
Exact Mass328.81
IUPAC Name2-bromo-6-(bromomethyl)pyridine;hydrobromide
SMILESBr.BrCc1cccc(Br)n1
InChIInChI=1S/C6H5Br2N.BrH/c7-4-5-2-1-3-6(8)9-5;/h1-3H,4H2;1H
InChIKeyYBXZCKCYSKEHTE-UHFFFAOYSA-N
XLogP3.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 53.32
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-(bromomethyl)pyridine;hydrobromide?
The IUPAC name of 2-bromo-6-(bromomethyl)pyridine;hydrobromide (CID 73012524) is 2-bromo-6-(bromomethyl)pyridine;hydrobromide.
What is the SMILES notation for 2-bromo-6-(bromomethyl)pyridine;hydrobromide?
The canonical SMILES for 2-bromo-6-(bromomethyl)pyridine;hydrobromide is Br.BrCc1cccc(Br)n1.
What is the InChIKey of 2-bromo-6-(bromomethyl)pyridine;hydrobromide?
The InChIKey is YBXZCKCYSKEHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br2N.BrH/c7-4-5-2-1-3-6(8)9-5;/h1-3H,4H2;1H.
What are the key properties of 2-bromo-6-(bromomethyl)pyridine;hydrobromide?
2-bromo-6-(bromomethyl)pyridine;hydrobromide has a molecular weight of 331.83 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(bromomethyl)pyridine;hydrobromide is sourced from PubChem (CID 73012524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).