1,5-bis(bromomethyl)-2H-pyridine

C7H9Br2N — CID 24745023

IUPAC1,5-bis(bromomethyl)-2H-pyridine
SMILESBrCC1=CN(CBr)CC=C1
InChIInChI=1S/C7H9Br2N/c8-4-7-2-1-3-10(5-7)6-9/h1-2,5H,3-4,6H2
InChIKeyOYBWSBOKYXDDDG-UHFFFAOYSA-N
MW266.96 g/mol
LogP2.49
Rot. Bonds2

About 1,5-bis(bromomethyl)-2H-pyridine

1,5-bis(bromomethyl)-2H-pyridine (PubChem CID 24745023) has the molecular formula C7H9Br2N and a molecular weight of 266.96 g/mol. Its IUPAC name is 1,5-bis(bromomethyl)-2H-pyridine.

Molecular Properties

Compound Name1,5-bis(bromomethyl)-2H-pyridine
PubChem CID24745023
Molecular FormulaC7H9Br2N
Molecular Weight266.96 g/mol
Exact Mass264.91
IUPAC Name1,5-bis(bromomethyl)-2H-pyridine
SMILESBrCC1=CN(CBr)CC=C1
InChIInChI=1S/C7H9Br2N/c8-4-7-2-1-3-10(5-7)6-9/h1-2,5H,3-4,6H2
InChIKeyOYBWSBOKYXDDDG-UHFFFAOYSA-N
XLogP2.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.96
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(bromomethyl)-2H-pyridine?
The IUPAC name of 1,5-bis(bromomethyl)-2H-pyridine (CID 24745023) is 1,5-bis(bromomethyl)-2H-pyridine.
What is the SMILES notation for 1,5-bis(bromomethyl)-2H-pyridine?
The canonical SMILES for 1,5-bis(bromomethyl)-2H-pyridine is BrCC1=CN(CBr)CC=C1.
What is the InChIKey of 1,5-bis(bromomethyl)-2H-pyridine?
The InChIKey is OYBWSBOKYXDDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Br2N/c8-4-7-2-1-3-10(5-7)6-9/h1-2,5H,3-4,6H2.
What are the key properties of 1,5-bis(bromomethyl)-2H-pyridine?
1,5-bis(bromomethyl)-2H-pyridine has a molecular weight of 266.96 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(bromomethyl)-2H-pyridine is sourced from PubChem (CID 24745023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).