4-(bromomethyl)-2,6-dichloropyridine

C6H4BrCl2N — CID 2781829

IUPAC4-(bromomethyl)-2,6-dichloropyridine
SMILESClc1cc(CBr)cc(Cl)n1
InChIInChI=1S/C6H4BrCl2N/c7-3-4-1-5(8)10-6(9)2-4/h1-2H,3H2
InChIKeyXDKGMGJZRFOZRV-UHFFFAOYSA-N
MW240.91 g/mol
LogP3.28
Rot. Bonds1

About 4-(bromomethyl)-2,6-dichloropyridine

4-(bromomethyl)-2,6-dichloropyridine (PubChem CID 2781829) has the molecular formula C6H4BrCl2N and a molecular weight of 240.91 g/mol. Its IUPAC name is 4-(bromomethyl)-2,6-dichloropyridine.

Molecular Properties

Compound Name4-(bromomethyl)-2,6-dichloropyridine
PubChem CID2781829
Molecular FormulaC6H4BrCl2N
Molecular Weight240.91 g/mol
Exact Mass238.89
IUPAC Name4-(bromomethyl)-2,6-dichloropyridine
SMILESClc1cc(CBr)cc(Cl)n1
InChIInChI=1S/C6H4BrCl2N/c7-3-4-1-5(8)10-6(9)2-4/h1-2H,3H2
InChIKeyXDKGMGJZRFOZRV-UHFFFAOYSA-N
XLogP3.28
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.91
LogP ≤ 53.28
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 4-(bromomethyl)-2,6-dichloropyridine?
The IUPAC name of 4-(bromomethyl)-2,6-dichloropyridine (CID 2781829) is 4-(bromomethyl)-2,6-dichloropyridine.
What is the SMILES notation for 4-(bromomethyl)-2,6-dichloropyridine?
The canonical SMILES for 4-(bromomethyl)-2,6-dichloropyridine is Clc1cc(CBr)cc(Cl)n1.
What is the InChIKey of 4-(bromomethyl)-2,6-dichloropyridine?
The InChIKey is XDKGMGJZRFOZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrCl2N/c7-3-4-1-5(8)10-6(9)2-4/h1-2H,3H2.
What are the key properties of 4-(bromomethyl)-2,6-dichloropyridine?
4-(bromomethyl)-2,6-dichloropyridine has a molecular weight of 240.91 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2,6-dichloropyridine is sourced from PubChem (CID 2781829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).