2-bromo-4-(bromomethyl)pyridine;hydrochloride

C6H6Br2ClN — CID 66569513

IUPAC2-bromo-4-(bromomethyl)pyridine;hydrochloride
SMILESBrCc1ccnc(Br)c1.Cl
InChIInChI=1S/C6H5Br2N.ClH/c7-4-5-1-2-9-6(8)3-5;/h1-3H,4H2;1H
InChIKeyMJOPKIHKAVPZDG-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.16
Rot. Bonds1

About 2-bromo-4-(bromomethyl)pyridine;hydrochloride

2-bromo-4-(bromomethyl)pyridine;hydrochloride (PubChem CID 66569513) has the molecular formula C6H6Br2ClN and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-bromo-4-(bromomethyl)pyridine;hydrochloride.

Molecular Properties

Compound Name2-bromo-4-(bromomethyl)pyridine;hydrochloride
PubChem CID66569513
Molecular FormulaC6H6Br2ClN
Molecular Weight287.38 g/mol
Exact Mass284.86
IUPAC Name2-bromo-4-(bromomethyl)pyridine;hydrochloride
SMILESBrCc1ccnc(Br)c1.Cl
InChIInChI=1S/C6H5Br2N.ClH/c7-4-5-1-2-9-6(8)3-5;/h1-3H,4H2;1H
InChIKeyMJOPKIHKAVPZDG-UHFFFAOYSA-N
XLogP3.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.16
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'}

Analyze 2-bromo-4-(bromomethyl)pyridine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(bromomethyl)pyridine;hydrochloride?
The IUPAC name of 2-bromo-4-(bromomethyl)pyridine;hydrochloride (CID 66569513) is 2-bromo-4-(bromomethyl)pyridine;hydrochloride.
What is the SMILES notation for 2-bromo-4-(bromomethyl)pyridine;hydrochloride?
The canonical SMILES for 2-bromo-4-(bromomethyl)pyridine;hydrochloride is BrCc1ccnc(Br)c1.Cl.
What is the InChIKey of 2-bromo-4-(bromomethyl)pyridine;hydrochloride?
The InChIKey is MJOPKIHKAVPZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br2N.ClH/c7-4-5-1-2-9-6(8)3-5;/h1-3H,4H2;1H.
What are the key properties of 2-bromo-4-(bromomethyl)pyridine;hydrochloride?
2-bromo-4-(bromomethyl)pyridine;hydrochloride has a molecular weight of 287.38 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(bromomethyl)pyridine;hydrochloride is sourced from PubChem (CID 66569513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).