2-bromo-6-ethenylpyridine

C7H6BrN — CID 25107602

IUPAC2-bromo-6-ethenylpyridine
SMILESC=Cc1cccc(Br)n1
InChIInChI=1S/C7H6BrN/c1-2-6-4-3-5-7(8)9-6/h2-5H,1H2
InChIKeyDACJHPBNJLHAGZ-UHFFFAOYSA-N
MW184.04 g/mol
LogP2.49
Rot. Bonds1

About 2-bromo-6-ethenylpyridine

2-bromo-6-ethenylpyridine (PubChem CID 25107602) has the molecular formula C7H6BrN and a molecular weight of 184.04 g/mol. Its IUPAC name is 2-bromo-6-ethenylpyridine.

Molecular Properties

Compound Name2-bromo-6-ethenylpyridine
PubChem CID25107602
Molecular FormulaC7H6BrN
Molecular Weight184.04 g/mol
Exact Mass182.97
IUPAC Name2-bromo-6-ethenylpyridine
SMILESC=Cc1cccc(Br)n1
InChIInChI=1S/C7H6BrN/c1-2-6-4-3-5-7(8)9-6/h2-5H,1H2
InChIKeyDACJHPBNJLHAGZ-UHFFFAOYSA-N
XLogP2.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.04
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-ethenylpyridine?
The IUPAC name of 2-bromo-6-ethenylpyridine (CID 25107602) is 2-bromo-6-ethenylpyridine.
What is the SMILES notation for 2-bromo-6-ethenylpyridine?
The canonical SMILES for 2-bromo-6-ethenylpyridine is C=Cc1cccc(Br)n1.
What is the InChIKey of 2-bromo-6-ethenylpyridine?
The InChIKey is DACJHPBNJLHAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN/c1-2-6-4-3-5-7(8)9-6/h2-5H,1H2.
What are the key properties of 2-bromo-6-ethenylpyridine?
2-bromo-6-ethenylpyridine has a molecular weight of 184.04 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-ethenylpyridine is sourced from PubChem (CID 25107602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).