bis(5-bromo-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);manganese(2+)

C24H18Br2MnN6O2 — CID 54601709

IUPACbis(5-bromo-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);manganese(2+)
SMILES[Mn+2].[O-]c1cc(Br)ccc1/C=N/Nc1ccccn1.[O-]c1cc(Br)ccc1/C=N/Nc1ccccn1
InChIInChI=1S/2C12H10BrN3O.Mn/c2*13-10-5-4-9(11(17)7-10)8-15-16-12-3-1-2-6-14-12;/h2*1-8,17H,(H,14,16);/q;;+2/p-2/b2*15-8+;
InChIKeyNXBXTQISFOXSON-ILRJJWRASA-L
MW637.19 g/mol
LogP4.72
Rot. Bonds6

About bis(5-bromo-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);manganese(2+)

bis(5-bromo-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);manganese(2+) (PubChem CID 54601709) has the molecular formula C24H18Br2MnN6O2 and a molecular weight of 637.19 g/mol. Its IUPAC name is bis(5-bromo-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);manganese(2+).

Molecular Properties

Compound Namebis(5-bromo-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);manganese(2+)
PubChem CID54601709
Molecular FormulaC24H18Br2MnN6O2
Molecular Weight637.19 g/mol
Exact Mass634.92
IUPAC Namebis(5-bromo-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);manganese(2+)
SMILES[Mn+2].[O-]c1cc(Br)ccc1/C=N/Nc1ccccn1.[O-]c1cc(Br)ccc1/C=N/Nc1ccccn1
InChIInChI=1S/2C12H10BrN3O.Mn/c2*13-10-5-4-9(11(17)7-10)8-15-16-12-3-1-2-6-14-12;/h2*1-8,17H,(H,14,16);/q;;+2/p-2/b2*15-8+;
InChIKeyNXBXTQISFOXSON-ILRJJWRASA-L
XLogP4.72
TPSA120.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500637.19
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

benzene-1,2-diolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium
CID 139139813
2-azanidylphenolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium
CID 139160031
manganese(2+);bis(2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate)
CID 139161130
dicopper;dioxidanium;bis(2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);diperchlorate;hydrate
CID 168338098
cobalt(2+);bis(2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate)
CID 54602046
Bis([(4-bromo-2-oxoniophenyl)methylideneamino]-pyridin-2-ylazanide);manganese(2+)
CID 4014505
Cobalt(2+);bis([(2-oxoniophenyl)methylideneamino]-pyridin-2-ylazanide)
CID 4444653
Bis([(4-bromo-2-oxoniophenyl)methylideneamino]-pyridin-2-ylazanide);manganese(2+)
CID 50911827

Frequently Asked Questions

What is the IUPAC name of bis(5-bromo-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);manganese(2+)?
The IUPAC name of bis(5-bromo-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);manganese(2+) (CID 54601709) is bis(5-bromo-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);manganese(2+).
What is the SMILES notation for bis(5-bromo-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);manganese(2+)?
The canonical SMILES for bis(5-bromo-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);manganese(2+) is [Mn+2].[O-]c1cc(Br)ccc1/C=N/Nc1ccccn1.[O-]c1cc(Br)ccc1/C=N/Nc1ccccn1.
What is the InChIKey of bis(5-bromo-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);manganese(2+)?
The InChIKey is NXBXTQISFOXSON-ILRJJWRASA-L. The full InChI is InChI=1S/2C12H10BrN3O.Mn/c2*13-10-5-4-9(11(17)7-10)8-15-16-12-3-1-2-6-14-12;/h2*1-8,17H,(H,14,16);/q;;+2/p-2/b2*15-8+;.
What are the key properties of bis(5-bromo-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);manganese(2+)?
bis(5-bromo-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);manganese(2+) has a molecular weight of 637.19 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-bromo-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);manganese(2+) is sourced from PubChem (CID 54601709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).