azane;cobalt(3+);bis(2-pyridin-2-ylpyridine);triperchlorate

C20H22Cl3CoN6O12 — CID 139154451

IUPACazane;cobalt(3+);bis(2-pyridin-2-ylpyridine);triperchlorate
SMILESN.N.[Co+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.3ClHO4.Co.2H3N/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*2-1(3,4)5;;;/h2*1-8H;3*(H,2,3,4,5);;2*1H3/q;;;;;+3;;/p-3
InChIKeyPDABAJSHIVJXGW-UHFFFAOYSA-K
MW703.72 g/mol
LogP-9.66
Rot. Bonds2

About azane;cobalt(3+);bis(2-pyridin-2-ylpyridine);triperchlorate

azane;cobalt(3+);bis(2-pyridin-2-ylpyridine);triperchlorate (PubChem CID 139154451) has the molecular formula C20H22Cl3CoN6O12 and a molecular weight of 703.72 g/mol. Its IUPAC name is azane;cobalt(3+);bis(2-pyridin-2-ylpyridine);triperchlorate.

Molecular Properties

Compound Nameazane;cobalt(3+);bis(2-pyridin-2-ylpyridine);triperchlorate
PubChem CID139154451
Molecular FormulaC20H22Cl3CoN6O12
Molecular Weight703.72 g/mol
Exact Mass701.97
IUPAC Nameazane;cobalt(3+);bis(2-pyridin-2-ylpyridine);triperchlorate
SMILESN.N.[Co+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.3ClHO4.Co.2H3N/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*2-1(3,4)5;;;/h2*1-8H;3*(H,2,3,4,5);;2*1H3/q;;;;;+3;;/p-3
InChIKeyPDABAJSHIVJXGW-UHFFFAOYSA-K
XLogP-9.66
TPSA398.28 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.72
LogP ≤ 5-9.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of azane;cobalt(3+);bis(2-pyridin-2-ylpyridine);triperchlorate?
The IUPAC name of azane;cobalt(3+);bis(2-pyridin-2-ylpyridine);triperchlorate (CID 139154451) is azane;cobalt(3+);bis(2-pyridin-2-ylpyridine);triperchlorate.
What is the SMILES notation for azane;cobalt(3+);bis(2-pyridin-2-ylpyridine);triperchlorate?
The canonical SMILES for azane;cobalt(3+);bis(2-pyridin-2-ylpyridine);triperchlorate is N.N.[Co+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of azane;cobalt(3+);bis(2-pyridin-2-ylpyridine);triperchlorate?
The InChIKey is PDABAJSHIVJXGW-UHFFFAOYSA-K. The full InChI is InChI=1S/2C10H8N2.3ClHO4.Co.2H3N/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*2-1(3,4)5;;;/h2*1-8H;3*(H,2,3,4,5);;2*1H3/q;;;;;+3;;/p-3.
What are the key properties of azane;cobalt(3+);bis(2-pyridin-2-ylpyridine);triperchlorate?
azane;cobalt(3+);bis(2-pyridin-2-ylpyridine);triperchlorate has a molecular weight of 703.72 g/mol, XLogP of -9.66, 2 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for azane;cobalt(3+);bis(2-pyridin-2-ylpyridine);triperchlorate is sourced from PubChem (CID 139154451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).