cobalt(2+);hexakis(1-hydroxy-3-methylpyridin-1-ium)

C36H48CoN6O6+8 — CID 5148689

IUPACcobalt(2+);hexakis(1-hydroxy-3-methylpyridin-1-ium)
SMILESCc1ccc[n+](O)c1.Cc1ccc[n+](O)c1.Cc1ccc[n+](O)c1.Cc1ccc[n+](O)c1.Cc1ccc[n+](O)c1.Cc1ccc[n+](O)c1.[Co+2]
InChIInChI=1S/6C6H8NO.Co/c6*1-6-3-2-4-7(8)5-6;/h6*2-5,8H,1H3;/q6*+1;+2
InChIKeyWUSXVZRRUGMRRT-UHFFFAOYSA-N
MW719.75 g/mol
LogP3.12
Rot. Bonds

About cobalt(2+);hexakis(1-hydroxy-3-methylpyridin-1-ium)

cobalt(2+);hexakis(1-hydroxy-3-methylpyridin-1-ium) (PubChem CID 5148689) has the molecular formula C36H48CoN6O6+8 and a molecular weight of 719.75 g/mol. Its IUPAC name is cobalt(2+);hexakis(1-hydroxy-3-methylpyridin-1-ium).

Molecular Properties

Compound Namecobalt(2+);hexakis(1-hydroxy-3-methylpyridin-1-ium)
PubChem CID5148689
Molecular FormulaC36H48CoN6O6+8
Molecular Weight719.75 g/mol
Exact Mass719.29
IUPAC Namecobalt(2+);hexakis(1-hydroxy-3-methylpyridin-1-ium)
SMILESCc1ccc[n+](O)c1.Cc1ccc[n+](O)c1.Cc1ccc[n+](O)c1.Cc1ccc[n+](O)c1.Cc1ccc[n+](O)c1.Cc1ccc[n+](O)c1.[Co+2]
InChIInChI=1S/6C6H8NO.Co/c6*1-6-3-2-4-7(8)5-6;/h6*2-5,8H,1H3;/q6*+1;+2
InChIKeyWUSXVZRRUGMRRT-UHFFFAOYSA-N
XLogP3.12
TPSA144.66 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.75
LogP ≤ 53.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-fluoro-3-methylpyridin-1-ium
CID 13182880
3-(3-methylpyridin-1-ium-1-yl)prop-2-enoic acid
CID 4063756
1-hydroxy-4-methylpyridin-1-ium
CID 3877972
1-hydroxy-3,4-dimethylpyridin-1-ium
CID 20725343
2-(3-methylpyridin-1-ium-1-yl)ethanol bromide
CID 13163135
methylcyclotriacontapentadecaene
CID 101240530
benzene;toluene
CID 158487474
titanium(2+);toluene
CID 22023820
methyl 3-methylpyridin-1-ium-1-carboxylate;hydrobromide
CID 126957621
methanol;titanium;toluene
CID 160815635
hydroxysilane;toluene
CID 174524422
3-methyl-1-[11-(3-methylpyridin-1-ium-1-yl)undecyl]pyridin-1-ium diiodide
CID 46890477

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);hexakis(1-hydroxy-3-methylpyridin-1-ium)?
The IUPAC name of cobalt(2+);hexakis(1-hydroxy-3-methylpyridin-1-ium) (CID 5148689) is cobalt(2+);hexakis(1-hydroxy-3-methylpyridin-1-ium).
What is the SMILES notation for cobalt(2+);hexakis(1-hydroxy-3-methylpyridin-1-ium)?
The canonical SMILES for cobalt(2+);hexakis(1-hydroxy-3-methylpyridin-1-ium) is Cc1ccc[n+](O)c1.Cc1ccc[n+](O)c1.Cc1ccc[n+](O)c1.Cc1ccc[n+](O)c1.Cc1ccc[n+](O)c1.Cc1ccc[n+](O)c1.[Co+2].
What is the InChIKey of cobalt(2+);hexakis(1-hydroxy-3-methylpyridin-1-ium)?
The InChIKey is WUSXVZRRUGMRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/6C6H8NO.Co/c6*1-6-3-2-4-7(8)5-6;/h6*2-5,8H,1H3;/q6*+1;+2.
What are the key properties of cobalt(2+);hexakis(1-hydroxy-3-methylpyridin-1-ium)?
cobalt(2+);hexakis(1-hydroxy-3-methylpyridin-1-ium) has a molecular weight of 719.75 g/mol, XLogP of 3.12, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);hexakis(1-hydroxy-3-methylpyridin-1-ium) is sourced from PubChem (CID 5148689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).