cobalt(2+);2-pyridin-2-yl-6-[3-(6-pyridin-2-yl-2-pyridinyl)propyl]pyridine;bis(trifluoromethanesulfonate)

C25H20CoF6N4O6S2 — CID 139042189

IUPACcobalt(2+);2-pyridin-2-yl-6-[3-(6-pyridin-2-yl-2-pyridinyl)propyl]pyridine;bis(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Co+2].c1ccc(-c2cccc(CCCc3cccc(-c4ccccn4)n3)n2)nc1
InChIInChI=1S/C23H20N4.2CHF3O3S.Co/c1-3-16-24-20(12-1)22-14-6-10-18(26-22)8-5-9-19-11-7-15-23(27-19)21-13-2-4-17-25-21;2*2-1(3,4)8(5,6)7;/h1-4,6-7,10-17H,5,8-9H2;2*(H,5,6,7);/q;;;+2/p-2
InChIKeyNSRDGWMZGCVDPG-UHFFFAOYSA-L
MW709.51 g/mol
LogP4.88
Rot. Bonds6

About cobalt(2+);2-pyridin-2-yl-6-[3-(6-pyridin-2-yl-2-pyridinyl)propyl]pyridine;bis(trifluoromethanesulfonate)

cobalt(2+);2-pyridin-2-yl-6-[3-(6-pyridin-2-yl-2-pyridinyl)propyl]pyridine;bis(trifluoromethanesulfonate) (PubChem CID 139042189) has the molecular formula C25H20CoF6N4O6S2 and a molecular weight of 709.51 g/mol. Its IUPAC name is cobalt(2+);2-pyridin-2-yl-6-[3-(6-pyridin-2-yl-2-pyridinyl)propyl]pyridine;bis(trifluoromethanesulfonate).

Molecular Properties

Compound Namecobalt(2+);2-pyridin-2-yl-6-[3-(6-pyridin-2-yl-2-pyridinyl)propyl]pyridine;bis(trifluoromethanesulfonate)
PubChem CID139042189
Molecular FormulaC25H20CoF6N4O6S2
Molecular Weight709.51 g/mol
Exact Mass709.01
IUPAC Namecobalt(2+);2-pyridin-2-yl-6-[3-(6-pyridin-2-yl-2-pyridinyl)propyl]pyridine;bis(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Co+2].c1ccc(-c2cccc(CCCc3cccc(-c4ccccn4)n3)n2)nc1
InChIInChI=1S/C23H20N4.2CHF3O3S.Co/c1-3-16-24-20(12-1)22-14-6-10-18(26-22)8-5-9-19-11-7-15-23(27-19)21-13-2-4-17-25-21;2*2-1(3,4)8(5,6)7;/h1-4,6-7,10-17H,5,8-9H2;2*(H,5,6,7);/q;;;+2/p-2
InChIKeyNSRDGWMZGCVDPG-UHFFFAOYSA-L
XLogP4.88
TPSA165.96 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500709.51
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze cobalt(2+);2-pyridin-2-yl-6-[3-(6-pyridin-2-yl-2-pyridinyl)propyl]pyridine;bis(trifluoromethanesulfonate) with MolForge

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Related Compounds

tris-(2,2'-bipyridine)cobalt(III)tri(bis(trifluoromethane)sulfonimide)
CID 168434989
tris-(2,2'-bipyridine)cobalt(II)di(bis(trifluoromethane)sulfonimide)
CID 170898766
[Fe(OTf)2(tpa)]
CID 53314868
[Fe(OTf)2(bpbp)]
CID 53314869
1-N,2-N-dimethyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine;iron(2+);bis(trifluoromethanesulfonate)
CID 53350274
iron(2+);1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;bis(trifluoromethanesulfonate)
CID 53350275
N,N'-dimethyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;iron(2+);bis(trifluoromethanesulfonate)
CID 53350281
Bis(palladium);bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);dihydrate
CID 135085357
Bis(palladium(2+));bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);dihydroxide
CID 139039543
[(S)-(pmpp)Mn(CF3SO3)2
CID 139040573
[Co(bpyPY2Me)(MeCN)(OTf)](OTf)
CID 139042184
[Cu(bpy2py))2OTf*2CH3CN
CID 139042424

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);2-pyridin-2-yl-6-[3-(6-pyridin-2-yl-2-pyridinyl)propyl]pyridine;bis(trifluoromethanesulfonate)?
The IUPAC name of cobalt(2+);2-pyridin-2-yl-6-[3-(6-pyridin-2-yl-2-pyridinyl)propyl]pyridine;bis(trifluoromethanesulfonate) (CID 139042189) is cobalt(2+);2-pyridin-2-yl-6-[3-(6-pyridin-2-yl-2-pyridinyl)propyl]pyridine;bis(trifluoromethanesulfonate).
What is the SMILES notation for cobalt(2+);2-pyridin-2-yl-6-[3-(6-pyridin-2-yl-2-pyridinyl)propyl]pyridine;bis(trifluoromethanesulfonate)?
The canonical SMILES for cobalt(2+);2-pyridin-2-yl-6-[3-(6-pyridin-2-yl-2-pyridinyl)propyl]pyridine;bis(trifluoromethanesulfonate) is O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Co+2].c1ccc(-c2cccc(CCCc3cccc(-c4ccccn4)n3)n2)nc1.
What is the InChIKey of cobalt(2+);2-pyridin-2-yl-6-[3-(6-pyridin-2-yl-2-pyridinyl)propyl]pyridine;bis(trifluoromethanesulfonate)?
The InChIKey is NSRDGWMZGCVDPG-UHFFFAOYSA-L. The full InChI is InChI=1S/C23H20N4.2CHF3O3S.Co/c1-3-16-24-20(12-1)22-14-6-10-18(26-22)8-5-9-19-11-7-15-23(27-19)21-13-2-4-17-25-21;2*2-1(3,4)8(5,6)7;/h1-4,6-7,10-17H,5,8-9H2;2*(H,5,6,7);/q;;;+2/p-2.
What are the key properties of cobalt(2+);2-pyridin-2-yl-6-[3-(6-pyridin-2-yl-2-pyridinyl)propyl]pyridine;bis(trifluoromethanesulfonate)?
cobalt(2+);2-pyridin-2-yl-6-[3-(6-pyridin-2-yl-2-pyridinyl)propyl]pyridine;bis(trifluoromethanesulfonate) has a molecular weight of 709.51 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);2-pyridin-2-yl-6-[3-(6-pyridin-2-yl-2-pyridinyl)propyl]pyridine;bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139042189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).