4-bromo-2,6-bis(bromomethyl)pyridine

C7H6Br3N — CID 642807

IUPAC4-bromo-2,6-bis(bromomethyl)pyridine
SMILESBrCc1cc(Br)cc(CBr)n1
InChIInChI=1S/C7H6Br3N/c8-3-6-1-5(10)2-7(4-9)11-6/h1-2H,3-4H2
InChIKeyRKMBLYCYGXVKRO-UHFFFAOYSA-N
MW343.84 g/mol
LogP3.63
Rot. Bonds2

About 4-bromo-2,6-bis(bromomethyl)pyridine

4-bromo-2,6-bis(bromomethyl)pyridine (PubChem CID 642807) has the molecular formula C7H6Br3N and a molecular weight of 343.84 g/mol. Its IUPAC name is 4-bromo-2,6-bis(bromomethyl)pyridine.

Molecular Properties

Compound Name4-bromo-2,6-bis(bromomethyl)pyridine
PubChem CID642807
Molecular FormulaC7H6Br3N
Molecular Weight343.84 g/mol
Exact Mass340.81
IUPAC Name4-bromo-2,6-bis(bromomethyl)pyridine
SMILESBrCc1cc(Br)cc(CBr)n1
InChIInChI=1S/C7H6Br3N/c8-3-6-1-5(10)2-7(4-9)11-6/h1-2H,3-4H2
InChIKeyRKMBLYCYGXVKRO-UHFFFAOYSA-N
XLogP3.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 53.63
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 4-bromo-2,6-bis(bromomethyl)pyridine?
The IUPAC name of 4-bromo-2,6-bis(bromomethyl)pyridine (CID 642807) is 4-bromo-2,6-bis(bromomethyl)pyridine.
What is the SMILES notation for 4-bromo-2,6-bis(bromomethyl)pyridine?
The canonical SMILES for 4-bromo-2,6-bis(bromomethyl)pyridine is BrCc1cc(Br)cc(CBr)n1.
What is the InChIKey of 4-bromo-2,6-bis(bromomethyl)pyridine?
The InChIKey is RKMBLYCYGXVKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Br3N/c8-3-6-1-5(10)2-7(4-9)11-6/h1-2H,3-4H2.
What are the key properties of 4-bromo-2,6-bis(bromomethyl)pyridine?
4-bromo-2,6-bis(bromomethyl)pyridine has a molecular weight of 343.84 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-bis(bromomethyl)pyridine is sourced from PubChem (CID 642807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).