cobalt(2+);pyridine-2,3-diimine

C5H5CoN3+2 — CID 22244856

IUPACcobalt(2+);pyridine-2,3-diimine
SMILES[Co+2].[H]/N=C1\N=CC=C\C1=N/[H]
InChIInChI=1S/C5H5N3.Co/c6-4-2-1-3-8-5(4)7;/h1-3,6-7H;/q;+2/b6-4+,7-5-;
InChIKeyQBWRTLJOHYFWSF-XGGDKXJTSA-N
MW166.05 g/mol
LogP0.62
Rot. Bonds

About cobalt(2+);pyridine-2,3-diimine

cobalt(2+);pyridine-2,3-diimine (PubChem CID 22244856) has the molecular formula C5H5CoN3+2 and a molecular weight of 166.05 g/mol. Its IUPAC name is cobalt(2+);pyridine-2,3-diimine.

Molecular Properties

Compound Namecobalt(2+);pyridine-2,3-diimine
PubChem CID22244856
Molecular FormulaC5H5CoN3+2
Molecular Weight166.05 g/mol
Exact Mass165.98
IUPAC Namecobalt(2+);pyridine-2,3-diimine
SMILES[Co+2].[H]/N=C1\N=CC=C\C1=N/[H]
InChIInChI=1S/C5H5N3.Co/c6-4-2-1-3-8-5(4)7;/h1-3,6-7H;/q;+2/b6-4+,7-5-;
InChIKeyQBWRTLJOHYFWSF-XGGDKXJTSA-N
XLogP0.62
TPSA60.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.05
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Bis(imino)pyridine
CID 21972427
3-fluoro-3H-pyridin-6-imine
CID 146674689
3-Iminopyridine
CID 21332821
Iron(2+);pyridine-2,3-diimine
CID 22134474
3H-pyridin-2-imine
CID 51030079
Pyridine-2,5-diimine
CID 54293695
Iron;pyridine-2,3-diimine
CID 66847494
5-Ethylpyridine-2,3-diimine
CID 68028389
Cobalt;pyridine-2,3-diimine
CID 69583641
iron;4H-pyridin-4-ide-2,3-diimine
CID 87774812
4-Iodopyridine-2,3-diimine
CID 123313142
2,3-Dihydropyridin-6-ylmethanimine
CID 123981433

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);pyridine-2,3-diimine?
The IUPAC name of cobalt(2+);pyridine-2,3-diimine (CID 22244856) is cobalt(2+);pyridine-2,3-diimine.
What is the SMILES notation for cobalt(2+);pyridine-2,3-diimine?
The canonical SMILES for cobalt(2+);pyridine-2,3-diimine is [Co+2].[H]/N=C1\N=CC=C\C1=N/[H].
What is the InChIKey of cobalt(2+);pyridine-2,3-diimine?
The InChIKey is QBWRTLJOHYFWSF-XGGDKXJTSA-N. The full InChI is InChI=1S/C5H5N3.Co/c6-4-2-1-3-8-5(4)7;/h1-3,6-7H;/q;+2/b6-4+,7-5-;.
What are the key properties of cobalt(2+);pyridine-2,3-diimine?
cobalt(2+);pyridine-2,3-diimine has a molecular weight of 166.05 g/mol, XLogP of 0.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);pyridine-2,3-diimine is sourced from PubChem (CID 22244856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).