2,6-bis(bromomethyl)pyridine

C7H7Br2N — CID 603610

IUPAC2,6-bis(bromomethyl)pyridine
SMILESBrCc1cccc(CBr)n1
InChIInChI=1S/C7H7Br2N/c8-4-6-2-1-3-7(5-9)10-6/h1-3H,4-5H2
InChIKeyQUTSYCOAZVHGGT-UHFFFAOYSA-N
MW264.95 g/mol
LogP2.87
Rot. Bonds2

About 2,6-bis(bromomethyl)pyridine

2,6-bis(bromomethyl)pyridine (PubChem CID 603610) has the molecular formula C7H7Br2N and a molecular weight of 264.95 g/mol. Its IUPAC name is 2,6-bis(bromomethyl)pyridine.

Molecular Properties

Compound Name2,6-bis(bromomethyl)pyridine
PubChem CID603610
Molecular FormulaC7H7Br2N
Molecular Weight264.95 g/mol
Exact Mass262.89
IUPAC Name2,6-bis(bromomethyl)pyridine
SMILESBrCc1cccc(CBr)n1
InChIInChI=1S/C7H7Br2N/c8-4-6-2-1-3-7(5-9)10-6/h1-3H,4-5H2
InChIKeyQUTSYCOAZVHGGT-UHFFFAOYSA-N
XLogP2.87
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.95
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(bromomethyl)pyridine?
The IUPAC name of 2,6-bis(bromomethyl)pyridine (CID 603610) is 2,6-bis(bromomethyl)pyridine.
What is the SMILES notation for 2,6-bis(bromomethyl)pyridine?
The canonical SMILES for 2,6-bis(bromomethyl)pyridine is BrCc1cccc(CBr)n1.
What is the InChIKey of 2,6-bis(bromomethyl)pyridine?
The InChIKey is QUTSYCOAZVHGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br2N/c8-4-6-2-1-3-7(5-9)10-6/h1-3H,4-5H2.
What are the key properties of 2,6-bis(bromomethyl)pyridine?
2,6-bis(bromomethyl)pyridine has a molecular weight of 264.95 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(bromomethyl)pyridine is sourced from PubChem (CID 603610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).