bis(6-[6-carboxylato-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxylate);terbium(3+);triethylazanium

C34H24F12N5O8Tb — CID 139159726

IUPACbis(6-[6-carboxylato-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxylate);terbium(3+);triethylazanium
SMILESCC[NH+](CC)CC.O=C([O-])c1cc(C(F)(F)F)cc(-c2cc(C(F)(F)F)cc(C(=O)[O-])n2)n1.O=C([O-])c1cc(C(F)(F)F)cc(-c2cc(C(F)(F)F)cc(C(=O)[O-])n2)n1.[Tb+3]
InChIInChI=1S/2C14H6F6N2O4.C6H15N.Tb/c2*15-13(16,17)5-1-7(21-9(3-5)11(23)24)8-2-6(14(18,19)20)4-10(22-8)12(25)26;1-4-7(5-2)6-3;/h2*1-4H,(H,23,24)(H,25,26);4-6H2,1-3H3;/q;;;+3/p-3
InChIKeyZNYRMQVGYMEYSR-UHFFFAOYSA-K
MW1017.49 g/mol
LogP1.75
Rot. Bonds9

About bis(6-[6-carboxylato-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxylate);terbium(3+);triethylazanium

bis(6-[6-carboxylato-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxylate);terbium(3+);triethylazanium (PubChem CID 139159726) has the molecular formula C34H24F12N5O8Tb and a molecular weight of 1017.49 g/mol. Its IUPAC name is bis(6-[6-carboxylato-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxylate);terbium(3+);triethylazanium.

Molecular Properties

Compound Namebis(6-[6-carboxylato-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxylate);terbium(3+);triethylazanium
PubChem CID139159726
Molecular FormulaC34H24F12N5O8Tb
Molecular Weight1017.49 g/mol
Exact Mass1017.07
IUPAC Namebis(6-[6-carboxylato-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxylate);terbium(3+);triethylazanium
SMILESCC[NH+](CC)CC.O=C([O-])c1cc(C(F)(F)F)cc(-c2cc(C(F)(F)F)cc(C(=O)[O-])n2)n1.O=C([O-])c1cc(C(F)(F)F)cc(-c2cc(C(F)(F)F)cc(C(=O)[O-])n2)n1.[Tb+3]
InChIInChI=1S/2C14H6F6N2O4.C6H15N.Tb/c2*15-13(16,17)5-1-7(21-9(3-5)11(23)24)8-2-6(14(18,19)20)4-10(22-8)12(25)26;1-4-7(5-2)6-3;/h2*1-4H,(H,23,24)(H,25,26);4-6H2,1-3H3;/q;;;+3/p-3
InChIKeyZNYRMQVGYMEYSR-UHFFFAOYSA-K
XLogP1.75
TPSA216.52 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001017.49
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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Related Compounds

methanol;bis(6-(6-pyridin-2-yl-2-pyridinyl)pyridine-2-carboxylate);bis(terbium(3+));tetrakis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate)
CID 139140582
2-(2,4-difluorobenzene-6-id-1-yl)-4-fluoropyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-[2,4-difluoro-3-[3-methyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-5-methylpyridine;2-(1,2-dihydropyrrol-2-id-3-yl)pyridine;2-(1,3-dihydropyrrol-3-id-4-yl)pyridine;4-fluoro-2-(4H-pyridin-4-id-3-yl)pyridine;decakis(iridium);2-methyl-6-(2,4,5-trifluorobenzene-6-id-1-yl)pyridine;pyridine-2-carboxylic acid;2-pyridin-2-yl-3H-pyridin-3-ide;4-pyridin-2-yl-3H-pyridin-3-ide;2-(2,4,5-trifluorobenzene-6-id-1-yl)pyridine
CID 157749869
Ru(II)(bda)(pic)2
CID 56835790
Ru2-bda-N2
CID 138455538
[Ru(III)(bda)(pic)2][PF6]
CID 138455539
Piperazinediium bis(pyridine-2,6-dicarboxylato)manganate(II) hexahydrate
CID 139070232
Piperazinediium bis(pyridine-2,6-dicarboxylato)nickelate(II) tetrahydrate
CID 139072196
Piperazinediium bis[bis(pyridine-2,6-dicarboxylato)ferrate(III)] monohydrate
CID 139073635
4-(4-Pyridyl)pyridinium bis(pyridine-2,6-dicarboxylato)chromium(III) tetrahydrate
CID 139074502
Butane-1,4-diammonium bis(pyridine-2,6-dicarboxylato)cuprate(II) trihydrate
CID 139074647
4-(4-Pyridyl)pyridinium bis(pyridine-2,6-dicarboxylato)ferrate(III) tetrahydrate
CID 139078713
Propane-1,2-diaminium tris(pyridine-2,6-dicarboxylato-kappa^3^O^2^,N,O^6^)zirconate(IV) trihydrate
CID 139081132

Frequently Asked Questions

What is the IUPAC name of bis(6-[6-carboxylato-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxylate);terbium(3+);triethylazanium?
The IUPAC name of bis(6-[6-carboxylato-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxylate);terbium(3+);triethylazanium (CID 139159726) is bis(6-[6-carboxylato-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxylate);terbium(3+);triethylazanium.
What is the SMILES notation for bis(6-[6-carboxylato-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxylate);terbium(3+);triethylazanium?
The canonical SMILES for bis(6-[6-carboxylato-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxylate);terbium(3+);triethylazanium is CC[NH+](CC)CC.O=C([O-])c1cc(C(F)(F)F)cc(-c2cc(C(F)(F)F)cc(C(=O)[O-])n2)n1.O=C([O-])c1cc(C(F)(F)F)cc(-c2cc(C(F)(F)F)cc(C(=O)[O-])n2)n1.[Tb+3].
What is the InChIKey of bis(6-[6-carboxylato-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxylate);terbium(3+);triethylazanium?
The InChIKey is ZNYRMQVGYMEYSR-UHFFFAOYSA-K. The full InChI is InChI=1S/2C14H6F6N2O4.C6H15N.Tb/c2*15-13(16,17)5-1-7(21-9(3-5)11(23)24)8-2-6(14(18,19)20)4-10(22-8)12(25)26;1-4-7(5-2)6-3;/h2*1-4H,(H,23,24)(H,25,26);4-6H2,1-3H3;/q;;;+3/p-3.
What are the key properties of bis(6-[6-carboxylato-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxylate);terbium(3+);triethylazanium?
bis(6-[6-carboxylato-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxylate);terbium(3+);triethylazanium has a molecular weight of 1017.49 g/mol, XLogP of 1.75, 9 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-[6-carboxylato-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxylate);terbium(3+);triethylazanium is sourced from PubChem (CID 139159726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).