cobalt;2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;propan-1-one;pyridine

C28H26CoN3O3- — CID 137302328

IUPACcobalt;2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;propan-1-one;pyridine
SMILESCC[C-]=O.Oc1ccccc1/C=N/c1ccccc1/N=C/c1ccccc1O.[Co].c1ccncc1
InChIInChI=1S/C20H16N2O2.C5H5N.C3H5O.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;1-2-4-6-5-3-1;1-2-3-4;/h1-14,23-24H;1-5H;2H2,1H3;/q;;-1;/b21-13+,22-14+;;;
InChIKeyXKFQPAOPDVUNFM-MYHDMYFSSA-N
MW511.47 g/mol
LogP6.18
Rot. Bonds5

About cobalt;2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;propan-1-one;pyridine

cobalt;2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;propan-1-one;pyridine (PubChem CID 137302328) has the molecular formula C28H26CoN3O3- and a molecular weight of 511.47 g/mol. Its IUPAC name is cobalt;2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;propan-1-one;pyridine.

Molecular Properties

Compound Namecobalt;2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;propan-1-one;pyridine
PubChem CID137302328
Molecular FormulaC28H26CoN3O3-
Molecular Weight511.47 g/mol
Exact Mass511.13
IUPAC Namecobalt;2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;propan-1-one;pyridine
SMILESCC[C-]=O.Oc1ccccc1/C=N/c1ccccc1/N=C/c1ccccc1O.[Co].c1ccncc1
InChIInChI=1S/C20H16N2O2.C5H5N.C3H5O.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;1-2-4-6-5-3-1;1-2-3-4;/h1-14,23-24H;1-5H;2H2,1H3;/q;;-1;/b21-13+,22-14+;;;
InChIKeyXKFQPAOPDVUNFM-MYHDMYFSSA-N
XLogP6.18
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.47
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Alpha-(2-pyridylmethylene)-O-cresol
CID 642844
3-(2-Phenyl-6-pyridin-4-yl-4-pyridinyl)phenol
CID 46887284
2-[[(6-Phenyl-3-pyridinyl)amino]methyl]phenol
CID 122182763
3-(3,5-Dimethyl-4-hydroxybenzylidene)anabaseine
CID 135869163
4-[1-(4-Hydroxyphenyl)-2-methyl-3-pyridin-3-ylprop-1-enyl]phenol
CID 166625710
4-[1-(4-Hydroxyphenyl)-2-pyridin-3-ylprop-1-enyl]phenol
CID 166628679
4-[1-(4-Hydroxyphenyl)-2-(pyridin-3-ylmethyl)but-1-enyl]phenol
CID 166629948
4-[1-(4-Hydroxyphenyl)-2-methyl-4-pyridin-3-ylbut-1-enyl]phenol
CID 166634744
4-[2-Ethyl-1-(4-hydroxyphenyl)-4-pyridin-3-ylbut-1-enyl]phenol
CID 166635135
4-(2-Phenyl-6-pyridin-4-yl-4-pyridinyl)phenol
CID 136086715
2-Allyl-4-[(3-allyl-4-hydroxy-phenyl)-(2-pyridyl)methyl]phenol
CID 42634112
2-((1E)-2-(4-pyridyl)vinyl)phenol
CID 642824

Frequently Asked Questions

What is the IUPAC name of cobalt;2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;propan-1-one;pyridine?
The IUPAC name of cobalt;2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;propan-1-one;pyridine (CID 137302328) is cobalt;2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;propan-1-one;pyridine.
What is the SMILES notation for cobalt;2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;propan-1-one;pyridine?
The canonical SMILES for cobalt;2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;propan-1-one;pyridine is CC[C-]=O.Oc1ccccc1/C=N/c1ccccc1/N=C/c1ccccc1O.[Co].c1ccncc1.
What is the InChIKey of cobalt;2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;propan-1-one;pyridine?
The InChIKey is XKFQPAOPDVUNFM-MYHDMYFSSA-N. The full InChI is InChI=1S/C20H16N2O2.C5H5N.C3H5O.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;1-2-4-6-5-3-1;1-2-3-4;/h1-14,23-24H;1-5H;2H2,1H3;/q;;-1;/b21-13+,22-14+;;;.
What are the key properties of cobalt;2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;propan-1-one;pyridine?
cobalt;2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;propan-1-one;pyridine has a molecular weight of 511.47 g/mol, XLogP of 6.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;propan-1-one;pyridine is sourced from PubChem (CID 137302328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).