nickel;pyridin-2-ylmethanimine

C6H6N2Ni — CID 87871752

IUPACnickel;pyridin-2-ylmethanimine
SMILES[H]/N=C/c1ccccn1.[Ni]
InChIInChI=1S/C6H6N2.Ni/c7-5-6-3-1-2-4-8-6;/h1-5,7H;/b7-5+;
InChIKeyJIKQAYZJXPSMGV-GZOLSCHFSA-N
MW164.82 g/mol
LogP1.08
Rot. Bonds1

About nickel;pyridin-2-ylmethanimine

nickel;pyridin-2-ylmethanimine (PubChem CID 87871752) has the molecular formula C6H6N2Ni and a molecular weight of 164.82 g/mol. Its IUPAC name is nickel;pyridin-2-ylmethanimine.

Molecular Properties

Compound Namenickel;pyridin-2-ylmethanimine
PubChem CID87871752
Molecular FormulaC6H6N2Ni
Molecular Weight164.82 g/mol
Exact Mass163.99
IUPAC Namenickel;pyridin-2-ylmethanimine
SMILES[H]/N=C/c1ccccn1.[Ni]
InChIInChI=1S/C6H6N2.Ni/c7-5-6-3-1-2-4-8-6;/h1-5,7H;/b7-5+;
InChIKeyJIKQAYZJXPSMGV-GZOLSCHFSA-N
XLogP1.08
TPSA36.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.82
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of nickel;pyridin-2-ylmethanimine?
The IUPAC name of nickel;pyridin-2-ylmethanimine (CID 87871752) is nickel;pyridin-2-ylmethanimine.
What is the SMILES notation for nickel;pyridin-2-ylmethanimine?
The canonical SMILES for nickel;pyridin-2-ylmethanimine is [H]/N=C/c1ccccn1.[Ni].
What is the InChIKey of nickel;pyridin-2-ylmethanimine?
The InChIKey is JIKQAYZJXPSMGV-GZOLSCHFSA-N. The full InChI is InChI=1S/C6H6N2.Ni/c7-5-6-3-1-2-4-8-6;/h1-5,7H;/b7-5+;.
What are the key properties of nickel;pyridin-2-ylmethanimine?
nickel;pyridin-2-ylmethanimine has a molecular weight of 164.82 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nickel;pyridin-2-ylmethanimine is sourced from PubChem (CID 87871752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).