3-Pyridylzinc chloride

C₅H₄ClNZn — CID 12931151

About 3-Pyridylzinc chloride

3-Pyridylzinc chloride (PubChem CID 12931151) has the molecular formula C₅H₄ClNZn and a molecular weight of 178.94 g/mol. Its IUPAC name is chlorozinc(1+);3H-pyridin-3-ide.

Molecular Properties

• Compound Name: 3-Pyridylzinc chloride
• PubChem CID: 12931151
• Molecular Formula: C₅H₄ClNZn
• Molecular Weight: 178.94 g/mol
• Exact Mass: 176.93
• IUPAC Name: chlorozinc(1+);3H-pyridin-3-ide
• SMILES: Cl[Zn+].[c-]1cccnc1
• InChI: InChI=1S/C5H4N.ClH.Zn/c1-2-4-6-5-3-1;;/h1-2,4-5H;1H;/q-1;;+2/p-1
• InChIKey: MABPPYBSYHLODG-UHFFFAOYSA-M
• XLogP: 1.57
• TPSA: 12.89 Ų
• H-Bond Acceptors: 1
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	178.94
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-Pyridylzinc chloride?

The IUPAC name of 3-Pyridylzinc chloride (CID 12931151) is chlorozinc(1+);3H-pyridin-3-ide.

What is the SMILES notation for 3-Pyridylzinc chloride?

The canonical SMILES for 3-Pyridylzinc chloride is Cl[Zn+].[c-]1cccnc1.

What is the InChIKey of 3-Pyridylzinc chloride?

The InChIKey is MABPPYBSYHLODG-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H4N.ClH.Zn/c1-2-4-6-5-3-1;;/h1-2,4-5H;1H;/q-1;;+2/p-1.

What are the key properties of 3-Pyridylzinc chloride?

3-Pyridylzinc chloride has a molecular weight of 178.94 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-Pyridylzinc chloride is sourced from PubChem (CID 12931151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 12931151 — identifiers, structure, computed properties (public domain)

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