cobalt(2+);tris(5-ethynyl-2-pyridin-2-ylpyridine)

C36H24CoN6+2 — CID 175709883

IUPACcobalt(2+);tris(5-ethynyl-2-pyridin-2-ylpyridine)
SMILESC#Cc1ccc(-c2ccccn2)nc1.C#Cc1ccc(-c2ccccn2)nc1.C#Cc1ccc(-c2ccccn2)nc1.[Co+2]
InChIInChI=1S/3C12H8N2.Co/c3*1-2-10-6-7-12(14-9-10)11-5-3-4-8-13-11;/h3*1,3-9H;/q;;;+2
InChIKeyNJITUQAFIYPGHC-UHFFFAOYSA-N
MW599.56 g/mol
LogP6.37
Rot. Bonds3

About cobalt(2+);tris(5-ethynyl-2-pyridin-2-ylpyridine)

cobalt(2+);tris(5-ethynyl-2-pyridin-2-ylpyridine) (PubChem CID 175709883) has the molecular formula C36H24CoN6+2 and a molecular weight of 599.56 g/mol. Its IUPAC name is cobalt(2+);tris(5-ethynyl-2-pyridin-2-ylpyridine).

Molecular Properties

Compound Namecobalt(2+);tris(5-ethynyl-2-pyridin-2-ylpyridine)
PubChem CID175709883
Molecular FormulaC36H24CoN6+2
Molecular Weight599.56 g/mol
Exact Mass599.14
IUPAC Namecobalt(2+);tris(5-ethynyl-2-pyridin-2-ylpyridine)
SMILESC#Cc1ccc(-c2ccccn2)nc1.C#Cc1ccc(-c2ccccn2)nc1.C#Cc1ccc(-c2ccccn2)nc1.[Co+2]
InChIInChI=1S/3C12H8N2.Co/c3*1-2-10-6-7-12(14-9-10)11-5-3-4-8-13-11;/h3*1,3-9H;/q;;;+2
InChIKeyNJITUQAFIYPGHC-UHFFFAOYSA-N
XLogP6.37
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.56
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-ethynyl-2,6-dipyridin-2-ylpyridine
CID 10611160
2-(5-ethynyl-2-pyridinyl)aniline
CID 87445058
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
2-(2,3-dimethylphenyl)-5-ethynylpyridine
CID 175646937
iridium;2-pyridin-2-ylpyridine;ruthenium
CID 174707743
disodium;hydride;2-pyridin-2-ylpyridine
CID 174959125

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);tris(5-ethynyl-2-pyridin-2-ylpyridine)?
The IUPAC name of cobalt(2+);tris(5-ethynyl-2-pyridin-2-ylpyridine) (CID 175709883) is cobalt(2+);tris(5-ethynyl-2-pyridin-2-ylpyridine).
What is the SMILES notation for cobalt(2+);tris(5-ethynyl-2-pyridin-2-ylpyridine)?
The canonical SMILES for cobalt(2+);tris(5-ethynyl-2-pyridin-2-ylpyridine) is C#Cc1ccc(-c2ccccn2)nc1.C#Cc1ccc(-c2ccccn2)nc1.C#Cc1ccc(-c2ccccn2)nc1.[Co+2].
What is the InChIKey of cobalt(2+);tris(5-ethynyl-2-pyridin-2-ylpyridine)?
The InChIKey is NJITUQAFIYPGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H8N2.Co/c3*1-2-10-6-7-12(14-9-10)11-5-3-4-8-13-11;/h3*1,3-9H;/q;;;+2.
What are the key properties of cobalt(2+);tris(5-ethynyl-2-pyridin-2-ylpyridine)?
cobalt(2+);tris(5-ethynyl-2-pyridin-2-ylpyridine) has a molecular weight of 599.56 g/mol, XLogP of 6.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);tris(5-ethynyl-2-pyridin-2-ylpyridine) is sourced from PubChem (CID 175709883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).