chloronickel;2,6-di(phenyl)pyridine

C17H11ClNNi-2 — CID 153499161

IUPACchloronickel;2,6-di(phenyl)pyridine
SMILESCl[Ni].[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1
InChIInChI=1S/C17H11N.ClH.Ni/c1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15;;/h1-8,10,12-13H;1H;/q-2;;+1/p-1
InChIKeyWNKHNCXOZOJJRL-UHFFFAOYSA-M
MW323.43 g/mol
LogP4.70
Rot. Bonds2

About chloronickel;2,6-di(phenyl)pyridine

chloronickel;2,6-di(phenyl)pyridine (PubChem CID 153499161) has the molecular formula C17H11ClNNi-2 and a molecular weight of 323.43 g/mol. Its IUPAC name is chloronickel;2,6-di(phenyl)pyridine.

Molecular Properties

Compound Namechloronickel;2,6-di(phenyl)pyridine
PubChem CID153499161
Molecular FormulaC17H11ClNNi-2
Molecular Weight323.43 g/mol
Exact Mass321.99
IUPAC Namechloronickel;2,6-di(phenyl)pyridine
SMILESCl[Ni].[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1
InChIInChI=1S/C17H11N.ClH.Ni/c1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15;;/h1-8,10,12-13H;1H;/q-2;;+1/p-1
InChIKeyWNKHNCXOZOJJRL-UHFFFAOYSA-M
XLogP4.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 54.70
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of chloronickel;2,6-di(phenyl)pyridine?
The IUPAC name of chloronickel;2,6-di(phenyl)pyridine (CID 153499161) is chloronickel;2,6-di(phenyl)pyridine.
What is the SMILES notation for chloronickel;2,6-di(phenyl)pyridine?
The canonical SMILES for chloronickel;2,6-di(phenyl)pyridine is Cl[Ni].[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1.
What is the InChIKey of chloronickel;2,6-di(phenyl)pyridine?
The InChIKey is WNKHNCXOZOJJRL-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H11N.ClH.Ni/c1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15;;/h1-8,10,12-13H;1H;/q-2;;+1/p-1.
What are the key properties of chloronickel;2,6-di(phenyl)pyridine?
chloronickel;2,6-di(phenyl)pyridine has a molecular weight of 323.43 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloronickel;2,6-di(phenyl)pyridine is sourced from PubChem (CID 153499161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).