zinc bis(2-[(E)-pyridin-2-yliminomethyl]phenolate)

C24H18N4O2Zn — CID 139204853

IUPACzinc bis(2-[(E)-pyridin-2-yliminomethyl]phenolate)
SMILES[O-]c1ccccc1/C=N/c1ccccn1.[O-]c1ccccc1/C=N/c1ccccn1.[Zn+2]
InChIInChI=1S/2C12H10N2O.Zn/c2*15-11-6-2-1-5-10(11)9-14-12-7-3-4-8-13-12;/h2*1-9,15H;/q;;+2/p-2/b2*14-9+;
InChIKeyPFFSGXFSKNYTEZ-ZNVPEIAMSA-L
MW459.82 g/mol
LogP3.81
Rot. Bonds4

About zinc bis(2-[(E)-pyridin-2-yliminomethyl]phenolate)

zinc bis(2-[(E)-pyridin-2-yliminomethyl]phenolate) (PubChem CID 139204853) has the molecular formula C24H18N4O2Zn and a molecular weight of 459.82 g/mol. Its IUPAC name is zinc bis(2-[(E)-pyridin-2-yliminomethyl]phenolate).

Molecular Properties

Compound Namezinc bis(2-[(E)-pyridin-2-yliminomethyl]phenolate)
PubChem CID139204853
Molecular FormulaC24H18N4O2Zn
Molecular Weight459.82 g/mol
Exact Mass458.07
IUPAC Namezinc bis(2-[(E)-pyridin-2-yliminomethyl]phenolate)
SMILES[O-]c1ccccc1/C=N/c1ccccn1.[O-]c1ccccc1/C=N/c1ccccn1.[Zn+2]
InChIInChI=1S/2C12H10N2O.Zn/c2*15-11-6-2-1-5-10(11)9-14-12-7-3-4-8-13-12;/h2*1-9,15H;/q;;+2/p-2/b2*14-9+;
InChIKeyPFFSGXFSKNYTEZ-ZNVPEIAMSA-L
XLogP3.81
TPSA96.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.82
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-{[4-(pyridin-2-yl)piperazin-1-yl]imino}methyl]phenol
CID 135519103
Alpha-(4-methyl-2-pyridylimino)-O-cresol
CID 317647
2-((E)-(2-Pyridinylimino)methyl)phenol
CID 135439975
Diphenyl (5-methyl-2-pyridinyl)amidophosphate
CID 258623
Bis(4-methylphenyl) pyridin-2-ylphosphoramidate
CID 258625
2-{4-amino-6-[(E)-2-pyridin-3-ylvinyl]-1,3,5-triazin-2-yl}phenol
CID 5293992
2-(2-Pyridyliminomethyl)phenol
CID 137227
Di-o-tolyl pyridin-2-ylphosphoramidate
CID 1912118
Beryllium;2-pyridin-2-ylphenolate
CID 100943966
4-Fluoro-2-[(e)-2-pyridyliminomethyl]phenol
CID 135908107
4-[6-Amino-5-(4-pyridyl)-3-pyridyl]-2,6-dimethyl-phenol
CID 126673067
4-Fluoro-2-(pyridin-2-yliminomethyl)phenol
CID 136498451

Frequently Asked Questions

What is the IUPAC name of zinc bis(2-[(E)-pyridin-2-yliminomethyl]phenolate)?
The IUPAC name of zinc bis(2-[(E)-pyridin-2-yliminomethyl]phenolate) (CID 139204853) is zinc bis(2-[(E)-pyridin-2-yliminomethyl]phenolate).
What is the SMILES notation for zinc bis(2-[(E)-pyridin-2-yliminomethyl]phenolate)?
The canonical SMILES for zinc bis(2-[(E)-pyridin-2-yliminomethyl]phenolate) is [O-]c1ccccc1/C=N/c1ccccn1.[O-]c1ccccc1/C=N/c1ccccn1.[Zn+2].
What is the InChIKey of zinc bis(2-[(E)-pyridin-2-yliminomethyl]phenolate)?
The InChIKey is PFFSGXFSKNYTEZ-ZNVPEIAMSA-L. The full InChI is InChI=1S/2C12H10N2O.Zn/c2*15-11-6-2-1-5-10(11)9-14-12-7-3-4-8-13-12;/h2*1-9,15H;/q;;+2/p-2/b2*14-9+;.
What are the key properties of zinc bis(2-[(E)-pyridin-2-yliminomethyl]phenolate)?
zinc bis(2-[(E)-pyridin-2-yliminomethyl]phenolate) has a molecular weight of 459.82 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(2-[(E)-pyridin-2-yliminomethyl]phenolate) is sourced from PubChem (CID 139204853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).