cobalt(2+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate

C16H14CoN2O2 — CID 26517

IUPACcobalt(2+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
SMILES[Co+2].[O-]c1ccccc1/C=N/CC/N=C/c1ccccc1[O-]
InChIInChI=1S/C16H16N2O2.Co/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;/h1-8,11-12,19-20H,9-10H2;/q;+2/p-2/b17-11+,18-12+;
InChIKeyNPAQSKHBTMUERN-OYJDLGDISA-L
MW325.23 g/mol
LogP1.37
Rot. Bonds5

About cobalt(2+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate

cobalt(2+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate (PubChem CID 26517) has the molecular formula C16H14CoN2O2 and a molecular weight of 325.23 g/mol. Its IUPAC name is cobalt(2+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate.

Molecular Properties

Compound Namecobalt(2+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
PubChem CID26517
Molecular FormulaC16H14CoN2O2
Molecular Weight325.23 g/mol
Exact Mass325.04
IUPAC Namecobalt(2+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
SMILES[Co+2].[O-]c1ccccc1/C=N/CC/N=C/c1ccccc1[O-]
InChIInChI=1S/C16H16N2O2.Co/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;/h1-8,11-12,19-20H,9-10H2;/q;+2/p-2/b17-11+,18-12+;
InChIKeyNPAQSKHBTMUERN-OYJDLGDISA-L
XLogP1.37
TPSA70.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-Bis(salicylidene)ethylenediamine
CID 26518
Cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 411012
N,N'-Bis(salicylidene)ethylenediaminocobalt(II)
CID 4608370
Salcomin
CID 135421911
Cobalt(2+);2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135794353
Cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135974350
N,N'-Disalicylidene-1,2-propanediamine
CID 7210
N,N'-Bis(salicylidene)ethylenediaminocobalt(II) hydrate
CID 135442959
Fluomine dust
CID 43957
N,N'-Bis(salicylidene)-1,3-propanediamine
CID 67125
Phenol, 2,2'-[1,6-hexanediylbis(nitrilomethylidyne)]bis-
CID 260228
Phenol, 2,2'-[1,2-cyclohexanediylbis(nitrilomethylidyne)]bis-
CID 115824

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate?
The IUPAC name of cobalt(2+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate (CID 26517) is cobalt(2+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate.
What is the SMILES notation for cobalt(2+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate?
The canonical SMILES for cobalt(2+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate is [Co+2].[O-]c1ccccc1/C=N/CC/N=C/c1ccccc1[O-].
What is the InChIKey of cobalt(2+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate?
The InChIKey is NPAQSKHBTMUERN-OYJDLGDISA-L. The full InChI is InChI=1S/C16H16N2O2.Co/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;/h1-8,11-12,19-20H,9-10H2;/q;+2/p-2/b17-11+,18-12+;.
What are the key properties of cobalt(2+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate?
cobalt(2+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate has a molecular weight of 325.23 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate is sourced from PubChem (CID 26517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).