(1Z,5Z)-cycloocta-1,5-diene;nickel;2-pyridin-2-ylpyridine

C18H20N2Ni — CID 11067258

IUPAC(1Z,5Z)-cycloocta-1,5-diene;nickel;2-pyridin-2-ylpyridine
SMILESC1=C\CC/C=C\CC/1.[Ni].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.C8H12.Ni/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-4-6-8-7-5-3-1;/h1-8H;1-2,7-8H,3-6H2;/b;2-1-,8-7-;
InChIKeySQAAHJPKNXUCNA-GHDUESPLSA-N
MW323.07 g/mol
LogP4.81
Rot. Bonds1

About (1Z,5Z)-cycloocta-1,5-diene;nickel;2-pyridin-2-ylpyridine

(1Z,5Z)-cycloocta-1,5-diene;nickel;2-pyridin-2-ylpyridine (PubChem CID 11067258) has the molecular formula C18H20N2Ni and a molecular weight of 323.07 g/mol. Its IUPAC name is (1Z,5Z)-cycloocta-1,5-diene;nickel;2-pyridin-2-ylpyridine.

Molecular Properties

Compound Name(1Z,5Z)-cycloocta-1,5-diene;nickel;2-pyridin-2-ylpyridine
PubChem CID11067258
Molecular FormulaC18H20N2Ni
Molecular Weight323.07 g/mol
Exact Mass322.10
IUPAC Name(1Z,5Z)-cycloocta-1,5-diene;nickel;2-pyridin-2-ylpyridine
SMILESC1=C\CC/C=C\CC/1.[Ni].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.C8H12.Ni/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-4-6-8-7-5-3-1;/h1-8H;1-2,7-8H,3-6H2;/b;2-1-,8-7-;
InChIKeySQAAHJPKNXUCNA-GHDUESPLSA-N
XLogP4.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.07
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
disodium;hydride;2-pyridin-2-ylpyridine
CID 174959125
pyrrolo[3,2-b]azepine
CID 66934182
iridium;2-pyridin-2-ylpyridine;ruthenium
CID 174707743
cobalt;ethane;tris(2-pyridin-2-ylpyridine)
CID 161013986
2-pyridin-2-ylpyridine;trichloroiron
CID 13245641

Frequently Asked Questions

What is the IUPAC name of (1Z,5Z)-cycloocta-1,5-diene;nickel;2-pyridin-2-ylpyridine?
The IUPAC name of (1Z,5Z)-cycloocta-1,5-diene;nickel;2-pyridin-2-ylpyridine (CID 11067258) is (1Z,5Z)-cycloocta-1,5-diene;nickel;2-pyridin-2-ylpyridine.
What is the SMILES notation for (1Z,5Z)-cycloocta-1,5-diene;nickel;2-pyridin-2-ylpyridine?
The canonical SMILES for (1Z,5Z)-cycloocta-1,5-diene;nickel;2-pyridin-2-ylpyridine is C1=C\CC/C=C\CC/1.[Ni].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of (1Z,5Z)-cycloocta-1,5-diene;nickel;2-pyridin-2-ylpyridine?
The InChIKey is SQAAHJPKNXUCNA-GHDUESPLSA-N. The full InChI is InChI=1S/C10H8N2.C8H12.Ni/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-4-6-8-7-5-3-1;/h1-8H;1-2,7-8H,3-6H2;/b;2-1-,8-7-;.
What are the key properties of (1Z,5Z)-cycloocta-1,5-diene;nickel;2-pyridin-2-ylpyridine?
(1Z,5Z)-cycloocta-1,5-diene;nickel;2-pyridin-2-ylpyridine has a molecular weight of 323.07 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,5Z)-cycloocta-1,5-diene;nickel;2-pyridin-2-ylpyridine is sourced from PubChem (CID 11067258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).