chloronickel;2H-pyridin-2-ide

C5H4ClNNi- — CID 175247083

IUPACchloronickel;2H-pyridin-2-ide
SMILESCl[Ni].[c-]1ccccn1
InChIInChI=1S/C5H4N.ClH.Ni/c1-2-4-6-5-3-1;;/h1-4H;1H;/q-1;;+1/p-1
InChIKeyOEJSQXXKCSCLML-UHFFFAOYSA-M
MW172.24 g/mol
LogP1.57
Rot. Bonds

About chloronickel;2H-pyridin-2-ide

chloronickel;2H-pyridin-2-ide (PubChem CID 175247083) has the molecular formula C5H4ClNNi- and a molecular weight of 172.24 g/mol. Its IUPAC name is chloronickel;2H-pyridin-2-ide.

Molecular Properties

Compound Namechloronickel;2H-pyridin-2-ide
PubChem CID175247083
Molecular FormulaC5H4ClNNi-
Molecular Weight172.24 g/mol
Exact Mass170.94
IUPAC Namechloronickel;2H-pyridin-2-ide
SMILESCl[Ni].[c-]1ccccn1
InChIInChI=1S/C5H4N.ClH.Ni/c1-2-4-6-5-3-1;;/h1-4H;1H;/q-1;;+1/p-1
InChIKeyOEJSQXXKCSCLML-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 ≤ 500172.24
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloronickel;2H-pyridin-2-ide?
The IUPAC name of chloronickel;2H-pyridin-2-ide (CID 175247083) is chloronickel;2H-pyridin-2-ide.
What is the SMILES notation for chloronickel;2H-pyridin-2-ide?
The canonical SMILES for chloronickel;2H-pyridin-2-ide is Cl[Ni].[c-]1ccccn1.
What is the InChIKey of chloronickel;2H-pyridin-2-ide?
The InChIKey is OEJSQXXKCSCLML-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H4N.ClH.Ni/c1-2-4-6-5-3-1;;/h1-4H;1H;/q-1;;+1/p-1.
What are the key properties of chloronickel;2H-pyridin-2-ide?
chloronickel;2H-pyridin-2-ide has a molecular weight of 172.24 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 chloronickel;2H-pyridin-2-ide is sourced from PubChem (CID 175247083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).