5-bromo-4-(bromomethyl)-2-chloropyridine

C6H4Br2ClN — CID 11483026

IUPAC5-bromo-4-(bromomethyl)-2-chloropyridine
SMILESClc1cc(CBr)c(Br)cn1
InChIInChI=1S/C6H4Br2ClN/c7-2-4-1-6(9)10-3-5(4)8/h1,3H,2H2
InChIKeyQNLGDTQQRGIQPC-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.39
Rot. Bonds1

About 5-bromo-4-(bromomethyl)-2-chloropyridine

5-bromo-4-(bromomethyl)-2-chloropyridine (PubChem CID 11483026) has the molecular formula C6H4Br2ClN and a molecular weight of 285.37 g/mol. Its IUPAC name is 5-bromo-4-(bromomethyl)-2-chloropyridine.

Molecular Properties

Compound Name5-bromo-4-(bromomethyl)-2-chloropyridine
PubChem CID11483026
Molecular FormulaC6H4Br2ClN
Molecular Weight285.37 g/mol
Exact Mass282.84
IUPAC Name5-bromo-4-(bromomethyl)-2-chloropyridine
SMILESClc1cc(CBr)c(Br)cn1
InChIInChI=1S/C6H4Br2ClN/c7-2-4-1-6(9)10-3-5(4)8/h1,3H,2H2
InChIKeyQNLGDTQQRGIQPC-UHFFFAOYSA-N
XLogP3.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.39
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 5-bromo-4-(bromomethyl)-2-chloropyridine 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 5-bromo-4-(bromomethyl)-2-chloropyridine?
The IUPAC name of 5-bromo-4-(bromomethyl)-2-chloropyridine (CID 11483026) is 5-bromo-4-(bromomethyl)-2-chloropyridine.
What is the SMILES notation for 5-bromo-4-(bromomethyl)-2-chloropyridine?
The canonical SMILES for 5-bromo-4-(bromomethyl)-2-chloropyridine is Clc1cc(CBr)c(Br)cn1.
What is the InChIKey of 5-bromo-4-(bromomethyl)-2-chloropyridine?
The InChIKey is QNLGDTQQRGIQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br2ClN/c7-2-4-1-6(9)10-3-5(4)8/h1,3H,2H2.
What are the key properties of 5-bromo-4-(bromomethyl)-2-chloropyridine?
5-bromo-4-(bromomethyl)-2-chloropyridine has a molecular weight of 285.37 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(bromomethyl)-2-chloropyridine is sourced from PubChem (CID 11483026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).