cobalt(3+);(NE,Z)-N-[(3-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate;tris(pyridine);perchlorate

C30H27ClCoN5O7 — CID 139080717

IUPACcobalt(3+);(NE,Z)-N-[(3-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate;tris(pyridine);perchlorate
SMILESCOc1cccc(/C=N/N=C(\[O-])c2ccccc2)c1[O-].[Co+3].[O-][Cl+3]([O-])([O-])[O-].c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/C15H14N2O3.3C5H5N.ClHO4.Co/c1-20-13-9-5-8-12(14(13)18)10-16-17-15(19)11-6-3-2-4-7-11;3*1-2-4-6-5-3-1;2-1(3,4)5;/h2-10,18H,1H3,(H,17,19);3*1-5H;(H,2,3,4,5);/q;;;;;+3/p-3/b16-10+;;;;;
InChIKeyKOOOXPZIDSRJGZ-BADOYKKRSA-K
MW663.96 g/mol
LogP-0.60
Rot. Bonds4

About cobalt(3+);(NE,Z)-N-[(3-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate;tris(pyridine);perchlorate

cobalt(3+);(NE,Z)-N-[(3-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate;tris(pyridine);perchlorate (PubChem CID 139080717) has the molecular formula C30H27ClCoN5O7 and a molecular weight of 663.96 g/mol. Its IUPAC name is cobalt(3+);(NE,Z)-N-[(3-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate;tris(pyridine);perchlorate.

Molecular Properties

Compound Namecobalt(3+);(NE,Z)-N-[(3-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate;tris(pyridine);perchlorate
PubChem CID139080717
Molecular FormulaC30H27ClCoN5O7
Molecular Weight663.96 g/mol
Exact Mass663.09
IUPAC Namecobalt(3+);(NE,Z)-N-[(3-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate;tris(pyridine);perchlorate
SMILESCOc1cccc(/C=N/N=C(\[O-])c2ccccc2)c1[O-].[Co+3].[O-][Cl+3]([O-])([O-])[O-].c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/C15H14N2O3.3C5H5N.ClHO4.Co/c1-20-13-9-5-8-12(14(13)18)10-16-17-15(19)11-6-3-2-4-7-11;3*1-2-4-6-5-3-1;2-1(3,4)5;/h2-10,18H,1H3,(H,17,19);3*1-5H;(H,2,3,4,5);/q;;;;;+3/p-3/b16-10+;;;;;
InChIKeyKOOOXPZIDSRJGZ-BADOYKKRSA-K
XLogP-0.60
TPSA210.98 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.96
LogP ≤ 5-0.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3-Pyridylmethylene)tetrahydronaphthalene 17a
CID 6539778
1'-Ethyl-7-methoxy-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
CID 3668127
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride
CID 2949886
7'-Ethoxy-2'-pyridin-3-yl-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]
CID 6616948
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride
CID 16192635
1'-Isopropyl-7-methoxy-2-(pyridin-3-yl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidine]
CID 4023593
1-[2-(2,3-Dimethoxyphenyl)ethenyl]isoquinoline
CID 295532
Cambridge id 5301897
CID 5338423
methyl (NE,4Z)-N-[(3,4-dimethoxyphenyl)methylidene]pyridine-4-carbohydrazonate
CID 9555928
4-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]pyridine
CID 754773
1-[2-(2,3-Dimethoxyphenyl)vinyl]isoquinoline
CID 5937213
N-[(E)-(2,3-dimethoxyphenyl)methyleneamino]pyridine-4-carboxamidine
CID 9574317

Frequently Asked Questions

What is the IUPAC name of cobalt(3+);(NE,Z)-N-[(3-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate;tris(pyridine);perchlorate?
The IUPAC name of cobalt(3+);(NE,Z)-N-[(3-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate;tris(pyridine);perchlorate (CID 139080717) is cobalt(3+);(NE,Z)-N-[(3-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate;tris(pyridine);perchlorate.
What is the SMILES notation for cobalt(3+);(NE,Z)-N-[(3-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate;tris(pyridine);perchlorate?
The canonical SMILES for cobalt(3+);(NE,Z)-N-[(3-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate;tris(pyridine);perchlorate is COc1cccc(/C=N/N=C(\[O-])c2ccccc2)c1[O-].[Co+3].[O-][Cl+3]([O-])([O-])[O-].c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of cobalt(3+);(NE,Z)-N-[(3-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate;tris(pyridine);perchlorate?
The InChIKey is KOOOXPZIDSRJGZ-BADOYKKRSA-K. The full InChI is InChI=1S/C15H14N2O3.3C5H5N.ClHO4.Co/c1-20-13-9-5-8-12(14(13)18)10-16-17-15(19)11-6-3-2-4-7-11;3*1-2-4-6-5-3-1;2-1(3,4)5;/h2-10,18H,1H3,(H,17,19);3*1-5H;(H,2,3,4,5);/q;;;;;+3/p-3/b16-10+;;;;;.
What are the key properties of cobalt(3+);(NE,Z)-N-[(3-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate;tris(pyridine);perchlorate?
cobalt(3+);(NE,Z)-N-[(3-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate;tris(pyridine);perchlorate has a molecular weight of 663.96 g/mol, XLogP of -0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);(NE,Z)-N-[(3-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate;tris(pyridine);perchlorate is sourced from PubChem (CID 139080717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).