cobalt(3+);2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(pyridin-4-amine);nitrate

C30H26CoN7O5 — CID 139085988

IUPACcobalt(3+);2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(pyridin-4-amine);nitrate
SMILESNc1ccncc1.Nc1ccncc1.O=[N+]([O-])[O-].[Co+3].[O-]c1ccccc1/C=N/c1ccccc1/N=C/c1ccccc1[O-]
InChIInChI=1S/C20H16N2O2.2C5H6N2.Co.NO3/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*6-5-1-3-7-4-2-5;;2-1(3)4/h1-14,23-24H;2*1-4H,(H2,6,7);;/q;;;+3;-1/p-2/b21-13+,22-14+;;;;
InChIKeyHQWQVZHMVPXXFA-YSVHZKDNSA-L
MW623.52 g/mol
LogP4.42
Rot. Bonds4

About cobalt(3+);2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(pyridin-4-amine);nitrate

cobalt(3+);2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(pyridin-4-amine);nitrate (PubChem CID 139085988) has the molecular formula C30H26CoN7O5 and a molecular weight of 623.52 g/mol. Its IUPAC name is cobalt(3+);2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(pyridin-4-amine);nitrate.

Molecular Properties

Compound Namecobalt(3+);2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(pyridin-4-amine);nitrate
PubChem CID139085988
Molecular FormulaC30H26CoN7O5
Molecular Weight623.52 g/mol
Exact Mass623.13
IUPAC Namecobalt(3+);2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(pyridin-4-amine);nitrate
SMILESNc1ccncc1.Nc1ccncc1.O=[N+]([O-])[O-].[Co+3].[O-]c1ccccc1/C=N/c1ccccc1/N=C/c1ccccc1[O-]
InChIInChI=1S/C20H16N2O2.2C5H6N2.Co.NO3/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*6-5-1-3-7-4-2-5;;2-1(3)4/h1-14,23-24H;2*1-4H,(H2,6,7);;/q;;;+3;-1/p-2/b21-13+,22-14+;;;;
InChIKeyHQWQVZHMVPXXFA-YSVHZKDNSA-L
XLogP4.42
TPSA214.86 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.52
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

Cobalt(3+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;bis(pyridine);tetraphenylboranuide
CID 139057499
[2,2'-{1,2-Phenylenebis(nitrilomethylylidyne)}diphenolato-kappa^4^O,N,N',O'](pyridine-kappaN)zinc(II)
CID 139072073
1385 MS4 [Co(salophen)(py)2]ClO4
CID 139076984
{2,2'-[Pyridine-3,4-diylbis(nitrilomethylidyne)]diphenolato}zinc(II)
CID 139077636
trans-{2,2'-[Ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato-kappa^4^O,N,N',O'}(nitro-kappaN)(pyridine-kappaN)cobalt(III)
CID 139088711
trans-{2,2'-[Ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato-kappa^4^O,N,N',O'}(4-methylpyridine-kappaN)(nitro-kappaN)cobalt(III)
CID 139088712
[UO2(salophen)(py)]
CID 139156365
ZINC;2-[[2-[(2-oxido-3-phenylphenyl)methylideneamino]phenyl]iminomethyl]-6-phenylphenolate;pyridine
CID 139159422
dicopper;2-[[(1R)-1-pyridin-2-ylethyl]iminomethyl]phenolate;2-[[(1S)-1-pyridin-2-ylethyl]iminomethyl]phenolate;dinitrate
CID 139176791
dicopper;2-[[(1R)-1-pyridin-2-ylethyl]iminomethyl]phenolate;2-[[(1S)-1-pyridin-2-ylethyl]iminomethyl]phenolate;diisocyanate
CID 139176794
ZINC;4-dodecyl-2-[[2-[(5-dodecyl-3-methyl-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]-6-methylphenolate;pyridine
CID 139181440
dizinc;2-[[(S)-phenyl(pyridin-2-yl)methyl]iminomethyl]phenolate;2-[[(R)-phenyl(pyridin-2-yl)methyl]iminomethyl]phenolate;dinitrate
CID 168340844

Frequently Asked Questions

What is the IUPAC name of cobalt(3+);2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(pyridin-4-amine);nitrate?
The IUPAC name of cobalt(3+);2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(pyridin-4-amine);nitrate (CID 139085988) is cobalt(3+);2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(pyridin-4-amine);nitrate.
What is the SMILES notation for cobalt(3+);2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(pyridin-4-amine);nitrate?
The canonical SMILES for cobalt(3+);2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(pyridin-4-amine);nitrate is Nc1ccncc1.Nc1ccncc1.O=[N+]([O-])[O-].[Co+3].[O-]c1ccccc1/C=N/c1ccccc1/N=C/c1ccccc1[O-].
What is the InChIKey of cobalt(3+);2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(pyridin-4-amine);nitrate?
The InChIKey is HQWQVZHMVPXXFA-YSVHZKDNSA-L. The full InChI is InChI=1S/C20H16N2O2.2C5H6N2.Co.NO3/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*6-5-1-3-7-4-2-5;;2-1(3)4/h1-14,23-24H;2*1-4H,(H2,6,7);;/q;;;+3;-1/p-2/b21-13+,22-14+;;;;.
What are the key properties of cobalt(3+);2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(pyridin-4-amine);nitrate?
cobalt(3+);2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(pyridin-4-amine);nitrate has a molecular weight of 623.52 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(pyridin-4-amine);nitrate is sourced from PubChem (CID 139085988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).