cobalt(2+);bis((NE,3Z)-N-[[6-(hydroxymethyl)-2-pyridinyl]methylidene]pyridine-3-carbohydrazonate)

C26H22CoN8O4 — CID 139144201

IUPACcobalt(2+);bis((NE,3Z)-N-[[6-(hydroxymethyl)-2-pyridinyl]methylidene]pyridine-3-carbohydrazonate)
SMILES[Co+2].[O-]/C(=N\N=C/c1cccc(CO)n1)c1cccnc1.[O-]/C(=N\N=C\c1cccc(CO)n1)c1cccnc1
InChIInChI=1S/2C13H12N4O2.Co/c2*18-9-12-5-1-4-11(16-12)8-15-17-13(19)10-3-2-6-14-7-10;/h2*1-8,18H,9H2,(H,17,19);/q;;+2/p-2/b15-8+;15-8-;
InChIKeyWYVOTKAAGSWOMF-ZLWDZYPBSA-L
MW569.45 g/mol
LogP0.22
Rot. Bonds8

About cobalt(2+);bis((NE,3Z)-N-[[6-(hydroxymethyl)-2-pyridinyl]methylidene]pyridine-3-carbohydrazonate)

cobalt(2+);bis((NE,3Z)-N-[[6-(hydroxymethyl)-2-pyridinyl]methylidene]pyridine-3-carbohydrazonate) (PubChem CID 139144201) has the molecular formula C26H22CoN8O4 and a molecular weight of 569.45 g/mol. Its IUPAC name is cobalt(2+);bis((NE,3Z)-N-[[6-(hydroxymethyl)-2-pyridinyl]methylidene]pyridine-3-carbohydrazonate).

Molecular Properties

Compound Namecobalt(2+);bis((NE,3Z)-N-[[6-(hydroxymethyl)-2-pyridinyl]methylidene]pyridine-3-carbohydrazonate)
PubChem CID139144201
Molecular FormulaC26H22CoN8O4
Molecular Weight569.45 g/mol
Exact Mass569.11
IUPAC Namecobalt(2+);bis((NE,3Z)-N-[[6-(hydroxymethyl)-2-pyridinyl]methylidene]pyridine-3-carbohydrazonate)
SMILES[Co+2].[O-]/C(=N\N=C/c1cccc(CO)n1)c1cccnc1.[O-]/C(=N\N=C\c1cccc(CO)n1)c1cccnc1
InChIInChI=1S/2C13H12N4O2.Co/c2*18-9-12-5-1-4-11(16-12)8-15-17-13(19)10-3-2-6-14-7-10;/h2*1-8,18H,9H2,(H,17,19);/q;;+2/p-2/b15-8+;15-8-;
InChIKeyWYVOTKAAGSWOMF-ZLWDZYPBSA-L
XLogP0.22
TPSA187.58 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.45
LogP ≤ 50.22
H-Bond Donors ≤ 52
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

(NE,3Z)-N-[(5-methoxy-2-oxidophenyl)methylidene]pyridine-3-carbohydrazonate;vanadium(4+);dihydroxide
CID 74763337
tetrakis((NE,2Z)-6-(hydroxymethyl)-N-[(2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);methanol;methanolate;tetrakis(terbium(3+))
CID 139179208
[6-[2-[bis[2-[[6-(hydroxymethyl)-2-pyridinyl]methylideneamino]ethyl]amino]ethyliminomethyl]-2-pyridinyl]methanol;iron(2+);dibromide
CID 139164096
(E)-1-pyridin-3-yl-N-[(E)-1-pyridin-3-ylethylideneamino]ethanimine
CID 5405316
neodymium(3+);pyridine-3-carboxylate
CID 23619365
bis(pyridine-3-carboxylate);ruthenium(2+)
CID 87535471
(6-ethyl-2-pyridinyl)methanol
CID 10749240
N-sulfanylidenepyridine-3-carboxamide
CID 23289350
N-[2-[(Z)-oxidoiminomethyl]phenyl]pyridine-3-carboxamide
CID 21204174
N-(pyridin-2-ylmethylideneamino)pyridine-3-carboxamide
CID 577497
2-(hydroxymethyl)-4-[(Z)-N-hydroxy-C-pyridin-3-ylcarbonimidoyl]-N-methylbenzeneamine oxide
CID 172986202
(2,6-dipyridin-3-ylphenyl)methanol
CID 46316451

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis((NE,3Z)-N-[[6-(hydroxymethyl)-2-pyridinyl]methylidene]pyridine-3-carbohydrazonate)?
The IUPAC name of cobalt(2+);bis((NE,3Z)-N-[[6-(hydroxymethyl)-2-pyridinyl]methylidene]pyridine-3-carbohydrazonate) (CID 139144201) is cobalt(2+);bis((NE,3Z)-N-[[6-(hydroxymethyl)-2-pyridinyl]methylidene]pyridine-3-carbohydrazonate).
What is the SMILES notation for cobalt(2+);bis((NE,3Z)-N-[[6-(hydroxymethyl)-2-pyridinyl]methylidene]pyridine-3-carbohydrazonate)?
The canonical SMILES for cobalt(2+);bis((NE,3Z)-N-[[6-(hydroxymethyl)-2-pyridinyl]methylidene]pyridine-3-carbohydrazonate) is [Co+2].[O-]/C(=N\N=C/c1cccc(CO)n1)c1cccnc1.[O-]/C(=N\N=C\c1cccc(CO)n1)c1cccnc1.
What is the InChIKey of cobalt(2+);bis((NE,3Z)-N-[[6-(hydroxymethyl)-2-pyridinyl]methylidene]pyridine-3-carbohydrazonate)?
The InChIKey is WYVOTKAAGSWOMF-ZLWDZYPBSA-L. The full InChI is InChI=1S/2C13H12N4O2.Co/c2*18-9-12-5-1-4-11(16-12)8-15-17-13(19)10-3-2-6-14-7-10;/h2*1-8,18H,9H2,(H,17,19);/q;;+2/p-2/b15-8+;15-8-;.
What are the key properties of cobalt(2+);bis((NE,3Z)-N-[[6-(hydroxymethyl)-2-pyridinyl]methylidene]pyridine-3-carbohydrazonate)?
cobalt(2+);bis((NE,3Z)-N-[[6-(hydroxymethyl)-2-pyridinyl]methylidene]pyridine-3-carbohydrazonate) has a molecular weight of 569.45 g/mol, XLogP of 0.22, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis((NE,3Z)-N-[[6-(hydroxymethyl)-2-pyridinyl]methylidene]pyridine-3-carbohydrazonate) is sourced from PubChem (CID 139144201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).