disilver;bis(N-(pyridin-2-ylmethyl)pyridin-2-amine);bis(trifluoromethanesulfonate)

C24H22Ag2F6N6O6S2 — CID 139082653

IUPACdisilver;bis(N-(pyridin-2-ylmethyl)pyridin-2-amine);bis(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].c1ccc(CNc2ccccn2)nc1.c1ccc(CNc2ccccn2)nc1
InChIInChI=1S/2C11H11N3.2CHF3O3S.2Ag/c2*1-3-7-12-10(5-1)9-14-11-6-2-4-8-13-11;2*2-1(3,4)8(5,6)7;;/h2*1-8H,9H2,(H,13,14);2*(H,5,6,7);;/q;;;;2*+1/p-2
InChIKeySFOCMAXJROVOAK-UHFFFAOYSA-L
MW884.33 g/mol
LogP4.28
Rot. Bonds6

About disilver;bis(N-(pyridin-2-ylmethyl)pyridin-2-amine);bis(trifluoromethanesulfonate)

disilver;bis(N-(pyridin-2-ylmethyl)pyridin-2-amine);bis(trifluoromethanesulfonate) (PubChem CID 139082653) has the molecular formula C24H22Ag2F6N6O6S2 and a molecular weight of 884.33 g/mol. Its IUPAC name is disilver;bis(N-(pyridin-2-ylmethyl)pyridin-2-amine);bis(trifluoromethanesulfonate).

Molecular Properties

Compound Namedisilver;bis(N-(pyridin-2-ylmethyl)pyridin-2-amine);bis(trifluoromethanesulfonate)
PubChem CID139082653
Molecular FormulaC24H22Ag2F6N6O6S2
Molecular Weight884.33 g/mol
Exact Mass881.90
IUPAC Namedisilver;bis(N-(pyridin-2-ylmethyl)pyridin-2-amine);bis(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].c1ccc(CNc2ccccn2)nc1.c1ccc(CNc2ccccn2)nc1
InChIInChI=1S/2C11H11N3.2CHF3O3S.2Ag/c2*1-3-7-12-10(5-1)9-14-11-6-2-4-8-13-11;2*2-1(3,4)8(5,6)7;;/h2*1-8H,9H2,(H,13,14);2*(H,5,6,7);;/q;;;;2*+1/p-2
InChIKeySFOCMAXJROVOAK-UHFFFAOYSA-L
XLogP4.28
TPSA190.02 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500884.33
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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

4-Methyl-6-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-[[6-(trifluoromethyl)pyridin-3-yl]amino]pyridin-3-yl]-1,3,5-triazin-2-amine
CID 49785166
6-(2-piperazin-1-ylpyridin-4-yl)-N-[4-(trifluoromethyl)pyridin-2-yl]pyridin-2-amine
CID 56947357
US10450297, Example 81
CID 57584690
6-[2-[[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-N-methylpyridin-2-amine
CID 58230686
6-[2-(dipyridin-2-ylamino)ethyl]-N-[[6-(methylamino)-2-pyridinyl]methyl]pyridin-2-amine
CID 127050257
N-methyl-6-[[[6-[(pyridin-2-ylamino)methyl]-2-pyridinyl]amino]methyl]pyridin-2-amine
CID 127051157
Bis(palladium);bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);dihydrate
CID 135085357
Bis(di-2-pyridylamine-kappa^2^N^2^,N^2'^)silver(I) trifluoromethanesulfonate
CID 139061000
N-pyridin-1-ium-2-yl-N-(pyridin-2-ylmethyl)pyridin-2-amine;trifluoromethanesulfonate;hydrate
CID 139156242
zinc;methanol;bis(N-pyridin-2-yl-N-(pyridin-2-ylmethyl)pyridin-2-amine);bis(trifluoromethanesulfonate)
CID 139156244
Disilver;tetrakis(2-methylpyridine);bis(trifluoromethanesulfonate)
CID 139161024
zinc;bis(N-pyridin-2-ylpyridin-2-amine);bis(trifluoromethanesulfonate)
CID 139162570

Frequently Asked Questions

What is the IUPAC name of disilver;bis(N-(pyridin-2-ylmethyl)pyridin-2-amine);bis(trifluoromethanesulfonate)?
The IUPAC name of disilver;bis(N-(pyridin-2-ylmethyl)pyridin-2-amine);bis(trifluoromethanesulfonate) (CID 139082653) is disilver;bis(N-(pyridin-2-ylmethyl)pyridin-2-amine);bis(trifluoromethanesulfonate).
What is the SMILES notation for disilver;bis(N-(pyridin-2-ylmethyl)pyridin-2-amine);bis(trifluoromethanesulfonate)?
The canonical SMILES for disilver;bis(N-(pyridin-2-ylmethyl)pyridin-2-amine);bis(trifluoromethanesulfonate) is O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].c1ccc(CNc2ccccn2)nc1.c1ccc(CNc2ccccn2)nc1.
What is the InChIKey of disilver;bis(N-(pyridin-2-ylmethyl)pyridin-2-amine);bis(trifluoromethanesulfonate)?
The InChIKey is SFOCMAXJROVOAK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H11N3.2CHF3O3S.2Ag/c2*1-3-7-12-10(5-1)9-14-11-6-2-4-8-13-11;2*2-1(3,4)8(5,6)7;;/h2*1-8H,9H2,(H,13,14);2*(H,5,6,7);;/q;;;;2*+1/p-2.
What are the key properties of disilver;bis(N-(pyridin-2-ylmethyl)pyridin-2-amine);bis(trifluoromethanesulfonate)?
disilver;bis(N-(pyridin-2-ylmethyl)pyridin-2-amine);bis(trifluoromethanesulfonate) has a molecular weight of 884.33 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;bis(N-(pyridin-2-ylmethyl)pyridin-2-amine);bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139082653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).