5-chloro-2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]diazenyl]phenolate;nickel(2+)

C19H12ClN3NiO2 — CID 23631665

IUPAC5-chloro-2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]diazenyl]phenolate;nickel(2+)
SMILES[Ni+2].[O-]c1ccccc1/C=N/c1ccccc1/N=N/c1ccc(Cl)cc1[O-]
InChIInChI=1S/C19H14ClN3O2.Ni/c20-14-9-10-17(19(25)11-14)23-22-16-7-3-2-6-15(16)21-12-13-5-1-4-8-18(13)24;/h1-12,24-25H;/q;+2/p-2/b21-12+,23-22+;
InChIKeyRCXQVKIGLYOZOL-BFLXDSMBSA-L
MW408.47 g/mol
LogP4.65
Rot. Bonds4

About 5-chloro-2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]diazenyl]phenolate;nickel(2+)

5-chloro-2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]diazenyl]phenolate;nickel(2+) (PubChem CID 23631665) has the molecular formula C19H12ClN3NiO2 and a molecular weight of 408.47 g/mol. Its IUPAC name is 5-chloro-2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]diazenyl]phenolate;nickel(2+).

Molecular Properties

Compound Name5-chloro-2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]diazenyl]phenolate;nickel(2+)
PubChem CID23631665
Molecular FormulaC19H12ClN3NiO2
Molecular Weight408.47 g/mol
Exact Mass407.00
IUPAC Name5-chloro-2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]diazenyl]phenolate;nickel(2+)
SMILES[Ni+2].[O-]c1ccccc1/C=N/c1ccccc1/N=N/c1ccc(Cl)cc1[O-]
InChIInChI=1S/C19H14ClN3O2.Ni/c20-14-9-10-17(19(25)11-14)23-22-16-7-3-2-6-15(16)21-12-13-5-1-4-8-18(13)24;/h1-12,24-25H;/q;+2/p-2/b21-12+,23-22+;
InChIKeyRCXQVKIGLYOZOL-BFLXDSMBSA-L
XLogP4.65
TPSA83.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

nickel;2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate
CID 58725494
bis(2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);uranium(4+)
CID 139115041
tetrakis(2,6-dimethylphenolate);bis(2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(titanium(4+))
CID 139136922
2-[[4,5-dimethoxy-2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate
CID 101450590
methanol;tetrakis(4-methyl-2-[(2-oxidophenyl)methylideneamino]phenolate);tetrakis(nickel(2+))
CID 139177480
N-(5-chloro-2-methylphenyl)-1-(2-chlorophenyl)methanimine
CID 4191286
copper bis(2-[(4-phenyldiazenylphenyl)iminomethyl]phenolate)
CID 139172748
4-fluoro-2-[[2-[(5-fluoro-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;platinum(2+)
CID 86298558
1-(3-chloronaphthalen-2-yl)-N-[2-[(3-chloronaphthalen-2-yl)methylideneamino]phenyl]methanimine
CID 10766095
2-[(2-oxidophenyl)iminomethyl]phenolate;platinum(2+);pyridin-4-ylmethanol
CID 10186083
copper;5-hydroxy-2-[[2-[(4-hydroxy-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;methanol
CID 139078092
2-[(4-methylphenyl)iminomethyl]phenolate
CID 140586343

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]diazenyl]phenolate;nickel(2+)?
The IUPAC name of 5-chloro-2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]diazenyl]phenolate;nickel(2+) (CID 23631665) is 5-chloro-2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]diazenyl]phenolate;nickel(2+).
What is the SMILES notation for 5-chloro-2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]diazenyl]phenolate;nickel(2+)?
The canonical SMILES for 5-chloro-2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]diazenyl]phenolate;nickel(2+) is [Ni+2].[O-]c1ccccc1/C=N/c1ccccc1/N=N/c1ccc(Cl)cc1[O-].
What is the InChIKey of 5-chloro-2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]diazenyl]phenolate;nickel(2+)?
The InChIKey is RCXQVKIGLYOZOL-BFLXDSMBSA-L. The full InChI is InChI=1S/C19H14ClN3O2.Ni/c20-14-9-10-17(19(25)11-14)23-22-16-7-3-2-6-15(16)21-12-13-5-1-4-8-18(13)24;/h1-12,24-25H;/q;+2/p-2/b21-12+,23-22+;.
What are the key properties of 5-chloro-2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]diazenyl]phenolate;nickel(2+)?
5-chloro-2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]diazenyl]phenolate;nickel(2+) has a molecular weight of 408.47 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]diazenyl]phenolate;nickel(2+) is sourced from PubChem (CID 23631665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).