tris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);bis(2,6-di(pyrazol-1-yl)pyridine)

C28H18CoF18N13O12S6 — CID 154728746

IUPACtris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);bis(2,6-di(pyrazol-1-yl)pyridine)
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Co+3].c1cc(-n2cccn2)nc(-n2cccn2)c1.c1cc(-n2cccn2)nc(-n2cccn2)c1
InChIInChI=1S/2C11H9N5.3C2F6NO4S2.Co/c2*1-4-10(15-8-2-6-12-15)14-11(5-1)16-9-3-7-13-16;3*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h2*1-9H;;;;/q;;3*-1;+3
InChIKeyKPOOPXWRLDEYCO-UHFFFAOYSA-N
MW1321.83 g/mol
LogP6.08
Rot. Bonds10

About tris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);bis(2,6-di(pyrazol-1-yl)pyridine)

tris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);bis(2,6-di(pyrazol-1-yl)pyridine) (PubChem CID 154728746) has the molecular formula C28H18CoF18N13O12S6 and a molecular weight of 1321.83 g/mol. Its IUPAC name is tris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);bis(2,6-di(pyrazol-1-yl)pyridine).

Molecular Properties

Compound Nametris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);bis(2,6-di(pyrazol-1-yl)pyridine)
PubChem CID154728746
Molecular FormulaC28H18CoF18N13O12S6
Molecular Weight1321.83 g/mol
Exact Mass1320.86
IUPAC Nametris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);bis(2,6-di(pyrazol-1-yl)pyridine)
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Co+3].c1cc(-n2cccn2)nc(-n2cccn2)c1.c1cc(-n2cccn2)nc(-n2cccn2)c1
InChIInChI=1S/2C11H9N5.3C2F6NO4S2.Co/c2*1-4-10(15-8-2-6-12-15)14-11(5-1)16-9-3-7-13-16;3*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h2*1-9H;;;;/q;;3*-1;+3
InChIKeyKPOOPXWRLDEYCO-UHFFFAOYSA-N
XLogP6.08
TPSA344.20 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds10
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001321.83
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

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Frequently Asked Questions

What is the IUPAC name of tris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);bis(2,6-di(pyrazol-1-yl)pyridine)?
The IUPAC name of tris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);bis(2,6-di(pyrazol-1-yl)pyridine) (CID 154728746) is tris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);bis(2,6-di(pyrazol-1-yl)pyridine).
What is the SMILES notation for tris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);bis(2,6-di(pyrazol-1-yl)pyridine)?
The canonical SMILES for tris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);bis(2,6-di(pyrazol-1-yl)pyridine) is O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Co+3].c1cc(-n2cccn2)nc(-n2cccn2)c1.c1cc(-n2cccn2)nc(-n2cccn2)c1.
What is the InChIKey of tris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);bis(2,6-di(pyrazol-1-yl)pyridine)?
The InChIKey is KPOOPXWRLDEYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H9N5.3C2F6NO4S2.Co/c2*1-4-10(15-8-2-6-12-15)14-11(5-1)16-9-3-7-13-16;3*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h2*1-9H;;;;/q;;3*-1;+3.
What are the key properties of tris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);bis(2,6-di(pyrazol-1-yl)pyridine)?
tris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);bis(2,6-di(pyrazol-1-yl)pyridine) has a molecular weight of 1321.83 g/mol, XLogP of 6.08, 10 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for tris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);bis(2,6-di(pyrazol-1-yl)pyridine) is sourced from PubChem (CID 154728746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).