3-bromo-2-(bromomethyl)-6-chloropyridine

C6H4Br2ClN — CID 23249915

IUPAC3-bromo-2-(bromomethyl)-6-chloropyridine
SMILESClc1ccc(Br)c(CBr)n1
InChIInChI=1S/C6H4Br2ClN/c7-3-5-4(8)1-2-6(9)10-5/h1-2H,3H2
InChIKeyGKTDJOOQGUUJEM-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.39
Rot. Bonds1

About 3-bromo-2-(bromomethyl)-6-chloropyridine

3-bromo-2-(bromomethyl)-6-chloropyridine (PubChem CID 23249915) has the molecular formula C6H4Br2ClN and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-bromo-2-(bromomethyl)-6-chloropyridine.

Molecular Properties

Compound Name3-bromo-2-(bromomethyl)-6-chloropyridine
PubChem CID23249915
Molecular FormulaC6H4Br2ClN
Molecular Weight285.37 g/mol
Exact Mass282.84
IUPAC Name3-bromo-2-(bromomethyl)-6-chloropyridine
SMILESClc1ccc(Br)c(CBr)n1
InChIInChI=1S/C6H4Br2ClN/c7-3-5-4(8)1-2-6(9)10-5/h1-2H,3H2
InChIKeyGKTDJOOQGUUJEM-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(bromomethyl)-6-chloropyridine?
The IUPAC name of 3-bromo-2-(bromomethyl)-6-chloropyridine (CID 23249915) is 3-bromo-2-(bromomethyl)-6-chloropyridine.
What is the SMILES notation for 3-bromo-2-(bromomethyl)-6-chloropyridine?
The canonical SMILES for 3-bromo-2-(bromomethyl)-6-chloropyridine is Clc1ccc(Br)c(CBr)n1.
What is the InChIKey of 3-bromo-2-(bromomethyl)-6-chloropyridine?
The InChIKey is GKTDJOOQGUUJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br2ClN/c7-3-5-4(8)1-2-6(9)10-5/h1-2H,3H2.
What are the key properties of 3-bromo-2-(bromomethyl)-6-chloropyridine?
3-bromo-2-(bromomethyl)-6-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 3-bromo-2-(bromomethyl)-6-chloropyridine is sourced from PubChem (CID 23249915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).