2-bromo-6-(bromomethyl)pyridine

C6H5Br2N — CID 12954796

IUPAC2-bromo-6-(bromomethyl)pyridine
SMILESBrCc1cccc(Br)n1
InChIInChI=1S/C6H5Br2N/c7-4-5-2-1-3-6(8)9-5/h1-3H,4H2
InChIKeyLSRDTCMNGSMEEI-UHFFFAOYSA-N
MW250.92 g/mol
LogP2.74
Rot. Bonds1

About 2-bromo-6-(bromomethyl)pyridine

2-bromo-6-(bromomethyl)pyridine (PubChem CID 12954796) has the molecular formula C6H5Br2N and a molecular weight of 250.92 g/mol. Its IUPAC name is 2-bromo-6-(bromomethyl)pyridine.

Molecular Properties

Compound Name2-bromo-6-(bromomethyl)pyridine
PubChem CID12954796
Molecular FormulaC6H5Br2N
Molecular Weight250.92 g/mol
Exact Mass248.88
IUPAC Name2-bromo-6-(bromomethyl)pyridine
SMILESBrCc1cccc(Br)n1
InChIInChI=1S/C6H5Br2N/c7-4-5-2-1-3-6(8)9-5/h1-3H,4H2
InChIKeyLSRDTCMNGSMEEI-UHFFFAOYSA-N
XLogP2.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.92
LogP ≤ 52.74
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?
The IUPAC name of 2-bromo-6-(bromomethyl)pyridine (CID 12954796) is 2-bromo-6-(bromomethyl)pyridine.
What is the SMILES notation for 2-bromo-6-(bromomethyl)pyridine?
The canonical SMILES for 2-bromo-6-(bromomethyl)pyridine is BrCc1cccc(Br)n1.
What is the InChIKey of 2-bromo-6-(bromomethyl)pyridine?
The InChIKey is LSRDTCMNGSMEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br2N/c7-4-5-2-1-3-6(8)9-5/h1-3H,4H2.
What are the key properties of 2-bromo-6-(bromomethyl)pyridine?
2-bromo-6-(bromomethyl)pyridine has a molecular weight of 250.92 g/mol, XLogP of 2.74, 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 is sourced from PubChem (CID 12954796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).