cobalt(3+);2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(pyridine);perchlorate

C30H24ClCoN4O6 — CID 139076984

IUPACcobalt(3+);2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(pyridine);perchlorate
SMILES[Co+3].[O-][Cl+3]([O-])([O-])[O-].[O-]c1ccccc1/C=N/c1ccccc1/N=C/c1ccccc1[O-].c1ccncc1.c1ccncc1
InChIInChI=1S/C20H16N2O2.2C5H5N.ClHO4.Co/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24;2*1-2-4-6-5-3-1;2-1(3,4)5;/h1-14,23-24H;2*1-5H;(H,2,3,4,5);/q;;;;+3/p-3/b21-13+,22-14+;;;;
InChIKeyVAZPAWQJKHHCTL-YSVHZKDNSA-K
MW630.93 g/mol
LogP0.74
Rot. Bonds4

About cobalt(3+);2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(pyridine);perchlorate

cobalt(3+);2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(pyridine);perchlorate (PubChem CID 139076984) has the molecular formula C30H24ClCoN4O6 and a molecular weight of 630.93 g/mol. Its IUPAC name is cobalt(3+);2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(pyridine);perchlorate.

Molecular Properties

Compound Namecobalt(3+);2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(pyridine);perchlorate
PubChem CID139076984
Molecular FormulaC30H24ClCoN4O6
Molecular Weight630.93 g/mol
Exact Mass630.07
IUPAC Namecobalt(3+);2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(pyridine);perchlorate
SMILES[Co+3].[O-][Cl+3]([O-])([O-])[O-].[O-]c1ccccc1/C=N/c1ccccc1/N=C/c1ccccc1[O-].c1ccncc1.c1ccncc1
InChIInChI=1S/C20H16N2O2.2C5H5N.ClHO4.Co/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24;2*1-2-4-6-5-3-1;2-1(3,4)5;/h1-14,23-24H;2*1-5H;(H,2,3,4,5);/q;;;;+3/p-3/b21-13+,22-14+;;;;
InChIKeyVAZPAWQJKHHCTL-YSVHZKDNSA-K
XLogP0.74
TPSA188.86 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500630.93
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

Beryllium;2-pyridin-2-ylphenolate
CID 100943966
Bis(4-chloro-2-(pyridin-2-ylmethyliminomethyl)phenolate);nickel(2+)
CID 24193982
2-[[2-[(2-Hydroxyphenyl)methyl-(2-methyl-3-pyridinyl)amino]ethyl-(2-methyl-3-pyridinyl)amino]methyl]phenol
CID 91200178
2,2'-[(2,2'-Bipyridine-3,3'-diyl)bis(nitrilomethylidyne)]diphenol
CID 136701704
Cobalt;2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;propan-1-one;pyridine
CID 137302328
dizinc;2-[[(1S)-1-pyridin-2-ylethyl]iminomethyl]phenolate;2-[[(1R)-1-pyridin-2-ylethyl]iminomethyl]phenolate;dicyanate
CID 139041445
dizinc;2-[[(S)-phenyl(pyridin-2-yl)methyl]iminomethyl]phenolate;2-[[(R)-phenyl(pyridin-2-yl)methyl]iminomethyl]phenolate;dicyanate
CID 139041446
Chloroform;bis(4-methylphenolate);platinum(2+);2-pyridin-2-ylpyridine
CID 139044462
bis(nickel(2+));bis(2-[[2-[(E)-(2-oxidophenyl)methylideneamino]-3-pyridinyl]iminomethyl]phenolate)
CID 139056067
Cobalt(3+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;bis(pyridine);tetraphenylboranuide
CID 139057499
Aqua(pyridine-kappaN)(N-salicylideneglycinato-kappa^3^N,O,O')copper(II)
CID 139068540
[2,2'-{1,2-Phenylenebis(nitrilomethylylidyne)}diphenolato-kappa^4^O,N,N',O'](pyridine-kappaN)zinc(II)
CID 139072073

Frequently Asked Questions

What is the IUPAC name of cobalt(3+);2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(pyridine);perchlorate?
The IUPAC name of cobalt(3+);2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(pyridine);perchlorate (CID 139076984) is cobalt(3+);2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(pyridine);perchlorate.
What is the SMILES notation for cobalt(3+);2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(pyridine);perchlorate?
The canonical SMILES for cobalt(3+);2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(pyridine);perchlorate is [Co+3].[O-][Cl+3]([O-])([O-])[O-].[O-]c1ccccc1/C=N/c1ccccc1/N=C/c1ccccc1[O-].c1ccncc1.c1ccncc1.
What is the InChIKey of cobalt(3+);2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(pyridine);perchlorate?
The InChIKey is VAZPAWQJKHHCTL-YSVHZKDNSA-K. The full InChI is InChI=1S/C20H16N2O2.2C5H5N.ClHO4.Co/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24;2*1-2-4-6-5-3-1;2-1(3,4)5;/h1-14,23-24H;2*1-5H;(H,2,3,4,5);/q;;;;+3/p-3/b21-13+,22-14+;;;;.
What are the key properties of cobalt(3+);2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(pyridine);perchlorate?
cobalt(3+);2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(pyridine);perchlorate has a molecular weight of 630.93 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(pyridine);perchlorate is sourced from PubChem (CID 139076984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).