cobalt(2+);bis(2-[(E)-[(1-methyl-4-nitropyrrole-2-carbonyl)hydrazinylidene]methyl]phenolate)

C26H22CoN8O8 — CID 139049046

IUPACcobalt(2+);bis(2-[(E)-[(1-methyl-4-nitropyrrole-2-carbonyl)hydrazinylidene]methyl]phenolate)
SMILESCn1cc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccccc1[O-].Cn1cc([N+](=O)[O-])cc1C(=O)NN=Cc1ccccc1[O-].[Co+2]
InChIInChI=1S/2C13H12N4O4.Co/c2*1-16-8-10(17(20)21)6-11(16)13(19)15-14-7-9-4-2-3-5-12(9)18;/h2*2-8,18H,1H3,(H,15,19);/q;;+2/p-2/b14-7+;;
InChIKeyFYRJFDPRFHUWAI-MOEKMLTRSA-L
MW633.44 g/mol
LogP1.54
Rot. Bonds8

About cobalt(2+);bis(2-[(E)-[(1-methyl-4-nitropyrrole-2-carbonyl)hydrazinylidene]methyl]phenolate)

cobalt(2+);bis(2-[(E)-[(1-methyl-4-nitropyrrole-2-carbonyl)hydrazinylidene]methyl]phenolate) (PubChem CID 139049046) has the molecular formula C26H22CoN8O8 and a molecular weight of 633.44 g/mol. Its IUPAC name is cobalt(2+);bis(2-[(E)-[(1-methyl-4-nitropyrrole-2-carbonyl)hydrazinylidene]methyl]phenolate).

Molecular Properties

Compound Namecobalt(2+);bis(2-[(E)-[(1-methyl-4-nitropyrrole-2-carbonyl)hydrazinylidene]methyl]phenolate)
PubChem CID139049046
Molecular FormulaC26H22CoN8O8
Molecular Weight633.44 g/mol
Exact Mass633.09
IUPAC Namecobalt(2+);bis(2-[(E)-[(1-methyl-4-nitropyrrole-2-carbonyl)hydrazinylidene]methyl]phenolate)
SMILESCn1cc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccccc1[O-].Cn1cc([N+](=O)[O-])cc1C(=O)NN=Cc1ccccc1[O-].[Co+2]
InChIInChI=1S/2C13H12N4O4.Co/c2*1-16-8-10(17(20)21)6-11(16)13(19)15-14-7-9-4-2-3-5-12(9)18;/h2*2-8,18H,1H3,(H,15,19);/q;;+2/p-2/b14-7+;;
InChIKeyFYRJFDPRFHUWAI-MOEKMLTRSA-L
XLogP1.54
TPSA225.18 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.44
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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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Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis(2-[(E)-[(1-methyl-4-nitropyrrole-2-carbonyl)hydrazinylidene]methyl]phenolate)?
The IUPAC name of cobalt(2+);bis(2-[(E)-[(1-methyl-4-nitropyrrole-2-carbonyl)hydrazinylidene]methyl]phenolate) (CID 139049046) is cobalt(2+);bis(2-[(E)-[(1-methyl-4-nitropyrrole-2-carbonyl)hydrazinylidene]methyl]phenolate).
What is the SMILES notation for cobalt(2+);bis(2-[(E)-[(1-methyl-4-nitropyrrole-2-carbonyl)hydrazinylidene]methyl]phenolate)?
The canonical SMILES for cobalt(2+);bis(2-[(E)-[(1-methyl-4-nitropyrrole-2-carbonyl)hydrazinylidene]methyl]phenolate) is Cn1cc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccccc1[O-].Cn1cc([N+](=O)[O-])cc1C(=O)NN=Cc1ccccc1[O-].[Co+2].
What is the InChIKey of cobalt(2+);bis(2-[(E)-[(1-methyl-4-nitropyrrole-2-carbonyl)hydrazinylidene]methyl]phenolate)?
The InChIKey is FYRJFDPRFHUWAI-MOEKMLTRSA-L. The full InChI is InChI=1S/2C13H12N4O4.Co/c2*1-16-8-10(17(20)21)6-11(16)13(19)15-14-7-9-4-2-3-5-12(9)18;/h2*2-8,18H,1H3,(H,15,19);/q;;+2/p-2/b14-7+;;.
What are the key properties of cobalt(2+);bis(2-[(E)-[(1-methyl-4-nitropyrrole-2-carbonyl)hydrazinylidene]methyl]phenolate)?
cobalt(2+);bis(2-[(E)-[(1-methyl-4-nitropyrrole-2-carbonyl)hydrazinylidene]methyl]phenolate) has a molecular weight of 633.44 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis(2-[(E)-[(1-methyl-4-nitropyrrole-2-carbonyl)hydrazinylidene]methyl]phenolate) is sourced from PubChem (CID 139049046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).