manganese(2+);bis(2-(1H-pyrazol-3-yl)pyridine);bis(trifluoromethanesulfonate)

C18H14F6MnN6O6S2 — CID 139167154

IUPACmanganese(2+);bis(2-(1H-pyrazol-3-yl)pyridine);bis(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Mn+2].c1ccc(-c2cc[nH]n2)nc1.c1ccc(-c2cc[nH]n2)nc1
InChIInChI=1S/2C8H7N3.2CHF3O3S.Mn/c2*1-2-5-9-7(3-1)8-4-6-10-11-8;2*2-1(3,4)8(5,6)7;/h2*1-6H,(H,10,11);2*(H,5,6,7);/q;;;;+2/p-2
InChIKeyGEFHTBBFBSRVEO-UHFFFAOYSA-L
MW643.41 g/mol
LogP3.04
Rot. Bonds2

About manganese(2+);bis(2-(1H-pyrazol-3-yl)pyridine);bis(trifluoromethanesulfonate)

manganese(2+);bis(2-(1H-pyrazol-3-yl)pyridine);bis(trifluoromethanesulfonate) (PubChem CID 139167154) has the molecular formula C18H14F6MnN6O6S2 and a molecular weight of 643.41 g/mol. Its IUPAC name is manganese(2+);bis(2-(1H-pyrazol-3-yl)pyridine);bis(trifluoromethanesulfonate).

Molecular Properties

Compound Namemanganese(2+);bis(2-(1H-pyrazol-3-yl)pyridine);bis(trifluoromethanesulfonate)
PubChem CID139167154
Molecular FormulaC18H14F6MnN6O6S2
Molecular Weight643.41 g/mol
Exact Mass642.97
IUPAC Namemanganese(2+);bis(2-(1H-pyrazol-3-yl)pyridine);bis(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Mn+2].c1ccc(-c2cc[nH]n2)nc1.c1ccc(-c2cc[nH]n2)nc1
InChIInChI=1S/2C8H7N3.2CHF3O3S.Mn/c2*1-2-5-9-7(3-1)8-4-6-10-11-8;2*2-1(3,4)8(5,6)7;/h2*1-6H,(H,10,11);2*(H,5,6,7);/q;;;;+2/p-2
InChIKeyGEFHTBBFBSRVEO-UHFFFAOYSA-L
XLogP3.04
TPSA197.54 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500643.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

Bis{mu~2~-3-[3-(2-pyridyl)pyrazol-1-ylmethyl]pyridine-kappa^3^N^1^:N^2^,N^3^}disilver(I) bis(trifluoromethanesulfonate)
CID 139060498
Platinum(2+);pyrazol-1-ide;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 139131682
3,5-Bis(trifluoromethyl)pyrazol-1-ide;platinum(2+);2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 139131685
Bis(2-[5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-id-3-yl]pyridine);platinum(2+)
CID 139138252
bis(3,5-dimethyl-1H-pyrazole);platinum(2+);2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine;chloride
CID 139141458
1-(2,4-Difluorobenzene-6-id-1-yl)pyrazole;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57525990
Iridium;1-phenylpyrazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57525998
3,5-dimethyl-1H-pyrazole;3,5-dimethylpyrazol-1-ide;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57772378
Osmium(2+);phosphane;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 58788799
Methanone;osmium(2+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 58788803
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 59729610
Bis[3-trifluoromethyl-5-(2-pyridyl)pyrazolato]platinum
CID 140606026

Frequently Asked Questions

What is the IUPAC name of manganese(2+);bis(2-(1H-pyrazol-3-yl)pyridine);bis(trifluoromethanesulfonate)?
The IUPAC name of manganese(2+);bis(2-(1H-pyrazol-3-yl)pyridine);bis(trifluoromethanesulfonate) (CID 139167154) is manganese(2+);bis(2-(1H-pyrazol-3-yl)pyridine);bis(trifluoromethanesulfonate).
What is the SMILES notation for manganese(2+);bis(2-(1H-pyrazol-3-yl)pyridine);bis(trifluoromethanesulfonate)?
The canonical SMILES for manganese(2+);bis(2-(1H-pyrazol-3-yl)pyridine);bis(trifluoromethanesulfonate) is O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Mn+2].c1ccc(-c2cc[nH]n2)nc1.c1ccc(-c2cc[nH]n2)nc1.
What is the InChIKey of manganese(2+);bis(2-(1H-pyrazol-3-yl)pyridine);bis(trifluoromethanesulfonate)?
The InChIKey is GEFHTBBFBSRVEO-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H7N3.2CHF3O3S.Mn/c2*1-2-5-9-7(3-1)8-4-6-10-11-8;2*2-1(3,4)8(5,6)7;/h2*1-6H,(H,10,11);2*(H,5,6,7);/q;;;;+2/p-2.
What are the key properties of manganese(2+);bis(2-(1H-pyrazol-3-yl)pyridine);bis(trifluoromethanesulfonate)?
manganese(2+);bis(2-(1H-pyrazol-3-yl)pyridine);bis(trifluoromethanesulfonate) has a molecular weight of 643.41 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for manganese(2+);bis(2-(1H-pyrazol-3-yl)pyridine);bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139167154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).