nickel(2+);bis((NE,4Z)-N-(pyridin-2-ylmethylidene)pyridine-4-carbohydrazonate)

C24H18N8NiO2 — CID 139141092

IUPACnickel(2+);bis((NE,4Z)-N-(pyridin-2-ylmethylidene)pyridine-4-carbohydrazonate)
SMILES[Ni+2].[O-]/C(=N\N=C/c1ccccn1)c1ccncc1.[O-]/C(=N\N=C\c1ccccn1)c1ccncc1
InChIInChI=1S/2C12H10N4O.Ni/c2*17-12(10-4-7-13-8-5-10)16-15-9-11-3-1-2-6-14-11;/h2*1-9H,(H,16,17);/q;;+2/p-2/b15-9+;15-9-;
InChIKeySORJAVLVNDZZJS-UQUFOXQCSA-L
MW509.16 g/mol
LogP1.23
Rot. Bonds6

About nickel(2+);bis((NE,4Z)-N-(pyridin-2-ylmethylidene)pyridine-4-carbohydrazonate)

nickel(2+);bis((NE,4Z)-N-(pyridin-2-ylmethylidene)pyridine-4-carbohydrazonate) (PubChem CID 139141092) has the molecular formula C24H18N8NiO2 and a molecular weight of 509.16 g/mol. Its IUPAC name is nickel(2+);bis((NE,4Z)-N-(pyridin-2-ylmethylidene)pyridine-4-carbohydrazonate).

Molecular Properties

Compound Namenickel(2+);bis((NE,4Z)-N-(pyridin-2-ylmethylidene)pyridine-4-carbohydrazonate)
PubChem CID139141092
Molecular FormulaC24H18N8NiO2
Molecular Weight509.16 g/mol
Exact Mass508.09
IUPAC Namenickel(2+);bis((NE,4Z)-N-(pyridin-2-ylmethylidene)pyridine-4-carbohydrazonate)
SMILES[Ni+2].[O-]/C(=N\N=C/c1ccccn1)c1ccncc1.[O-]/C(=N\N=C\c1ccccn1)c1ccncc1
InChIInChI=1S/2C12H10N4O.Ni/c2*17-12(10-4-7-13-8-5-10)16-15-9-11-3-1-2-6-14-11;/h2*1-9H,(H,16,17);/q;;+2/p-2/b15-9+;15-9-;
InChIKeySORJAVLVNDZZJS-UQUFOXQCSA-L
XLogP1.23
TPSA147.12 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.16
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of nickel(2+);bis((NE,4Z)-N-(pyridin-2-ylmethylidene)pyridine-4-carbohydrazonate)?
The IUPAC name of nickel(2+);bis((NE,4Z)-N-(pyridin-2-ylmethylidene)pyridine-4-carbohydrazonate) (CID 139141092) is nickel(2+);bis((NE,4Z)-N-(pyridin-2-ylmethylidene)pyridine-4-carbohydrazonate).
What is the SMILES notation for nickel(2+);bis((NE,4Z)-N-(pyridin-2-ylmethylidene)pyridine-4-carbohydrazonate)?
The canonical SMILES for nickel(2+);bis((NE,4Z)-N-(pyridin-2-ylmethylidene)pyridine-4-carbohydrazonate) is [Ni+2].[O-]/C(=N\N=C/c1ccccn1)c1ccncc1.[O-]/C(=N\N=C\c1ccccn1)c1ccncc1.
What is the InChIKey of nickel(2+);bis((NE,4Z)-N-(pyridin-2-ylmethylidene)pyridine-4-carbohydrazonate)?
The InChIKey is SORJAVLVNDZZJS-UQUFOXQCSA-L. The full InChI is InChI=1S/2C12H10N4O.Ni/c2*17-12(10-4-7-13-8-5-10)16-15-9-11-3-1-2-6-14-11;/h2*1-9H,(H,16,17);/q;;+2/p-2/b15-9+;15-9-;.
What are the key properties of nickel(2+);bis((NE,4Z)-N-(pyridin-2-ylmethylidene)pyridine-4-carbohydrazonate)?
nickel(2+);bis((NE,4Z)-N-(pyridin-2-ylmethylidene)pyridine-4-carbohydrazonate) has a molecular weight of 509.16 g/mol, XLogP of 1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for nickel(2+);bis((NE,4Z)-N-(pyridin-2-ylmethylidene)pyridine-4-carbohydrazonate) is sourced from PubChem (CID 139141092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).