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

C5H4ClNZn — CID 12931150

IUPACchlorozinc(1+);2H-pyridin-2-ide
SMILESCl[Zn+].[c-]1ccccn1
InChIInChI=1S/C5H4N.ClH.Zn/c1-2-4-6-5-3-1;;/h1-4H;1H;/q-1;;+2/p-1
InChIKeySTORJTFYFWTIFQ-UHFFFAOYSA-M
MW178.94 g/mol
LogP1.57
Rot. Bonds

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

chlorozinc(1+);2H-pyridin-2-ide (PubChem CID 12931150) has the molecular formula C5H4ClNZn and a molecular weight of 178.94 g/mol. Its IUPAC name is chlorozinc(1+);2H-pyridin-2-ide.

Molecular Properties

Compound Namechlorozinc(1+);2H-pyridin-2-ide
PubChem CID12931150
Molecular FormulaC5H4ClNZn
Molecular Weight178.94 g/mol
Exact Mass176.93
IUPAC Namechlorozinc(1+);2H-pyridin-2-ide
SMILESCl[Zn+].[c-]1ccccn1
InChIInChI=1S/C5H4N.ClH.Zn/c1-2-4-6-5-3-1;;/h1-4H;1H;/q-1;;+2/p-1
InChIKeySTORJTFYFWTIFQ-UHFFFAOYSA-M
XLogP1.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.94
LogP ≤ 51.57
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 chlorozinc(1+);2H-pyridin-2-ide?
The IUPAC name of chlorozinc(1+);2H-pyridin-2-ide (CID 12931150) is chlorozinc(1+);2H-pyridin-2-ide.
What is the SMILES notation for chlorozinc(1+);2H-pyridin-2-ide?
The canonical SMILES for chlorozinc(1+);2H-pyridin-2-ide is Cl[Zn+].[c-]1ccccn1.
What is the InChIKey of chlorozinc(1+);2H-pyridin-2-ide?
The InChIKey is STORJTFYFWTIFQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H4N.ClH.Zn/c1-2-4-6-5-3-1;;/h1-4H;1H;/q-1;;+2/p-1.
What are the key properties of chlorozinc(1+);2H-pyridin-2-ide?
chlorozinc(1+);2H-pyridin-2-ide 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 chlorozinc(1+);2H-pyridin-2-ide is sourced from PubChem (CID 12931150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).