bromozinc(1+);2H-pyridin-2-ide

C5H4BrNZn — CID 6414715

IUPACbromozinc(1+);2H-pyridin-2-ide
SMILES[Zn+]Br.[c-]1ccccn1
InChIInChI=1S/C5H4N.BrH.Zn/c1-2-4-6-5-3-1;;/h1-4H;1H;/q-1;;+2/p-1
InChIKeyZQJYTTPJYLKTTI-UHFFFAOYSA-M
MW223.39 g/mol
LogP1.72
Rot. Bonds

About bromozinc(1+);2H-pyridin-2-ide

bromozinc(1+);2H-pyridin-2-ide (PubChem CID 6414715) has the molecular formula C5H4BrNZn and a molecular weight of 223.39 g/mol. Its IUPAC name is bromozinc(1+);2H-pyridin-2-ide.

Molecular Properties

Compound Namebromozinc(1+);2H-pyridin-2-ide
PubChem CID6414715
Molecular FormulaC5H4BrNZn
Molecular Weight223.39 g/mol
Exact Mass220.88
IUPAC Namebromozinc(1+);2H-pyridin-2-ide
SMILES[Zn+]Br.[c-]1ccccn1
InChIInChI=1S/C5H4N.BrH.Zn/c1-2-4-6-5-3-1;;/h1-4H;1H;/q-1;;+2/p-1
InChIKeyZQJYTTPJYLKTTI-UHFFFAOYSA-M
XLogP1.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.39
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);2H-pyridin-2-ide?
The IUPAC name of bromozinc(1+);2H-pyridin-2-ide (CID 6414715) is bromozinc(1+);2H-pyridin-2-ide.
What is the SMILES notation for bromozinc(1+);2H-pyridin-2-ide?
The canonical SMILES for bromozinc(1+);2H-pyridin-2-ide is [Zn+]Br.[c-]1ccccn1.
What is the InChIKey of bromozinc(1+);2H-pyridin-2-ide?
The InChIKey is ZQJYTTPJYLKTTI-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H4N.BrH.Zn/c1-2-4-6-5-3-1;;/h1-4H;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);2H-pyridin-2-ide?
bromozinc(1+);2H-pyridin-2-ide has a molecular weight of 223.39 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);2H-pyridin-2-ide is sourced from PubChem (CID 6414715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).