tetrakis(cobalt(2+));hexakis((6-methyl-2-pyridinyl)methanolate);dinitrate

C42H48Co4N8O12 — CID 139138327

IUPACtetrakis(cobalt(2+));hexakis((6-methyl-2-pyridinyl)methanolate);dinitrate
SMILESCc1cccc(C[O-])n1.Cc1cccc(C[O-])n1.Cc1cccc(C[O-])n1.Cc1cccc(C[O-])n1.Cc1cccc(C[O-])n1.Cc1cccc(C[O-])n1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Co+2].[Co+2].[Co+2].[Co+2]
InChIInChI=1S/6C7H8NO.4Co.2NO3/c6*1-6-3-2-4-7(5-9)8-6;;;;;2*2-1(3)4/h6*2-4H,5H2,1H3;;;;;;/q6*-1;4*+2;2*-1
InChIKeyAFKJGEGVBPMSII-UHFFFAOYSA-N
MW1092.62 g/mol
LogP1.01
Rot. Bonds6

About tetrakis(cobalt(2+));hexakis((6-methyl-2-pyridinyl)methanolate);dinitrate

tetrakis(cobalt(2+));hexakis((6-methyl-2-pyridinyl)methanolate);dinitrate (PubChem CID 139138327) has the molecular formula C42H48Co4N8O12 and a molecular weight of 1092.62 g/mol. Its IUPAC name is tetrakis(cobalt(2+));hexakis((6-methyl-2-pyridinyl)methanolate);dinitrate.

Molecular Properties

Compound Nametetrakis(cobalt(2+));hexakis((6-methyl-2-pyridinyl)methanolate);dinitrate
PubChem CID139138327
Molecular FormulaC42H48Co4N8O12
Molecular Weight1092.62 g/mol
Exact Mass1092.07
IUPAC Nametetrakis(cobalt(2+));hexakis((6-methyl-2-pyridinyl)methanolate);dinitrate
SMILESCc1cccc(C[O-])n1.Cc1cccc(C[O-])n1.Cc1cccc(C[O-])n1.Cc1cccc(C[O-])n1.Cc1cccc(C[O-])n1.Cc1cccc(C[O-])n1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Co+2].[Co+2].[Co+2].[Co+2]
InChIInChI=1S/6C7H8NO.4Co.2NO3/c6*1-6-3-2-4-7(5-9)8-6;;;;;2*2-1(3)4/h6*2-4H,5H2,1H3;;;;;;/q6*-1;4*+2;2*-1
InChIKeyAFKJGEGVBPMSII-UHFFFAOYSA-N
XLogP1.01
TPSA348.10 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001092.62
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze tetrakis(cobalt(2+));hexakis((6-methyl-2-pyridinyl)methanolate);dinitrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tetrakis(cobalt(2+));hexakis((6-methyl-2-pyridinyl)methanolate);dinitrate?
The IUPAC name of tetrakis(cobalt(2+));hexakis((6-methyl-2-pyridinyl)methanolate);dinitrate (CID 139138327) is tetrakis(cobalt(2+));hexakis((6-methyl-2-pyridinyl)methanolate);dinitrate.
What is the SMILES notation for tetrakis(cobalt(2+));hexakis((6-methyl-2-pyridinyl)methanolate);dinitrate?
The canonical SMILES for tetrakis(cobalt(2+));hexakis((6-methyl-2-pyridinyl)methanolate);dinitrate is Cc1cccc(C[O-])n1.Cc1cccc(C[O-])n1.Cc1cccc(C[O-])n1.Cc1cccc(C[O-])n1.Cc1cccc(C[O-])n1.Cc1cccc(C[O-])n1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Co+2].[Co+2].[Co+2].[Co+2].
What is the InChIKey of tetrakis(cobalt(2+));hexakis((6-methyl-2-pyridinyl)methanolate);dinitrate?
The InChIKey is AFKJGEGVBPMSII-UHFFFAOYSA-N. The full InChI is InChI=1S/6C7H8NO.4Co.2NO3/c6*1-6-3-2-4-7(5-9)8-6;;;;;2*2-1(3)4/h6*2-4H,5H2,1H3;;;;;;/q6*-1;4*+2;2*-1.
What are the key properties of tetrakis(cobalt(2+));hexakis((6-methyl-2-pyridinyl)methanolate);dinitrate?
tetrakis(cobalt(2+));hexakis((6-methyl-2-pyridinyl)methanolate);dinitrate has a molecular weight of 1092.62 g/mol, XLogP of 1.01, 6 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(cobalt(2+));hexakis((6-methyl-2-pyridinyl)methanolate);dinitrate is sourced from PubChem (CID 139138327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).