bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);tris(2-pyrazol-1-ylpyridine)

C28H21CoF12N11O8S4 — CID 163353978

IUPACbis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);tris(2-pyrazol-1-ylpyridine)
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.[Co+2].c1ccc(-n2cccn2)nc1.c1ccc(-n2cccn2)nc1.c1ccc(-n2cccn2)nc1
InChIInChI=1S/3C8H7N3.2C2F6NO4S2.Co/c3*1-2-5-9-8(4-1)11-7-3-6-10-11;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h3*1-7H;;;/q;;;2*-1;+2
InChIKeySMFVYYNUCFGVOE-UHFFFAOYSA-N
MW1054.72 g/mol
LogP5.92
Rot. Bonds7

About bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);tris(2-pyrazol-1-ylpyridine)

bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);tris(2-pyrazol-1-ylpyridine) (PubChem CID 163353978) has the molecular formula C28H21CoF12N11O8S4 and a molecular weight of 1054.72 g/mol. Its IUPAC name is bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);tris(2-pyrazol-1-ylpyridine).

Molecular Properties

Compound Namebis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);tris(2-pyrazol-1-ylpyridine)
PubChem CID163353978
Molecular FormulaC28H21CoF12N11O8S4
Molecular Weight1054.72 g/mol
Exact Mass1053.96
IUPAC Namebis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);tris(2-pyrazol-1-ylpyridine)
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.[Co+2].c1ccc(-n2cccn2)nc1.c1ccc(-n2cccn2)nc1.c1ccc(-n2cccn2)nc1
InChIInChI=1S/3C8H7N3.2C2F6NO4S2.Co/c3*1-2-5-9-8(4-1)11-7-3-6-10-11;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h3*1-7H;;;/q;;;2*-1;+2
InChIKeySMFVYYNUCFGVOE-UHFFFAOYSA-N
XLogP5.92
TPSA256.89 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001054.72
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

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Frequently Asked Questions

What is the IUPAC name of bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);tris(2-pyrazol-1-ylpyridine)?
The IUPAC name of bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);tris(2-pyrazol-1-ylpyridine) (CID 163353978) is bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);tris(2-pyrazol-1-ylpyridine).
What is the SMILES notation for bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);tris(2-pyrazol-1-ylpyridine)?
The canonical SMILES for bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);tris(2-pyrazol-1-ylpyridine) 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.[Co+2].c1ccc(-n2cccn2)nc1.c1ccc(-n2cccn2)nc1.c1ccc(-n2cccn2)nc1.
What is the InChIKey of bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);tris(2-pyrazol-1-ylpyridine)?
The InChIKey is SMFVYYNUCFGVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H7N3.2C2F6NO4S2.Co/c3*1-2-5-9-8(4-1)11-7-3-6-10-11;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h3*1-7H;;;/q;;;2*-1;+2.
What are the key properties of bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);tris(2-pyrazol-1-ylpyridine)?
bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);tris(2-pyrazol-1-ylpyridine) has a molecular weight of 1054.72 g/mol, XLogP of 5.92, 7 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);tris(2-pyrazol-1-ylpyridine) is sourced from PubChem (CID 163353978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).