bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);ruthenium(2+)

C30H16F6N8O2Ru — CID 139131626

IUPACbis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);ruthenium(2+)
SMILESO=C(c1cccc(-c2ccccn2)n1)c1cc(C(F)(F)F)n[n-]1.O=C(c1cccc(-c2ccccn2)n1)c1cc(C(F)(F)F)n[n-]1.[Ru+2]
InChIInChI=1S/2C15H9F3N4O.Ru/c2*16-15(17,18)13-8-12(21-22-13)14(23)11-6-3-5-10(20-11)9-4-1-2-7-19-9;/h2*1-8H,(H,21,22,23);/q;;+2/p-2
InChIKeyQIBOBIQUTSABOA-UHFFFAOYSA-L
MW735.57 g/mol
LogP5.49
Rot. Bonds6

About bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);ruthenium(2+)

bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);ruthenium(2+) (PubChem CID 139131626) has the molecular formula C30H16F6N8O2Ru and a molecular weight of 735.57 g/mol. Its IUPAC name is bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);ruthenium(2+).

Molecular Properties

Compound Namebis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);ruthenium(2+)
PubChem CID139131626
Molecular FormulaC30H16F6N8O2Ru
Molecular Weight735.57 g/mol
Exact Mass736.03
IUPAC Namebis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);ruthenium(2+)
SMILESO=C(c1cccc(-c2ccccn2)n1)c1cc(C(F)(F)F)n[n-]1.O=C(c1cccc(-c2ccccn2)n1)c1cc(C(F)(F)F)n[n-]1.[Ru+2]
InChIInChI=1S/2C15H9F3N4O.Ru/c2*16-15(17,18)13-8-12(21-22-13)14(23)11-6-3-5-10(20-11)9-4-1-2-7-19-9;/h2*1-8H,(H,21,22,23);/q;;+2/p-2
InChIKeyQIBOBIQUTSABOA-UHFFFAOYSA-L
XLogP5.49
TPSA139.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.57
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[6-[6-(Triazolo[1,5-a]pyridin-3-yl)pyridine-2-carbonyl]-2-pyridinyl]-[6-(triazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]methanone
CID 118707123
Hexane;bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);bis(2-pyridin-2-yl-6-[[3-(trifluoromethyl)pyrazol-1-id-5-yl]methyl]pyridine);bis(ruthenium(2+))
CID 139131625
Osmium(2+);bis(propan-2-one);(6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone;(6-pyridin-2-yl-2-pyridinyl)-[5-(trifluoromethyl)pyrazol-1-id-3-yl]methanone
CID 139131627
CID 157303773
CID 157303773
Bis[6-(3,5-difluoro-2-pyridinyl)-2-pyridinyl]methanone;platinum
CID 140680267

Frequently Asked Questions

What is the IUPAC name of bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);ruthenium(2+)?
The IUPAC name of bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);ruthenium(2+) (CID 139131626) is bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);ruthenium(2+).
What is the SMILES notation for bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);ruthenium(2+)?
The canonical SMILES for bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);ruthenium(2+) is O=C(c1cccc(-c2ccccn2)n1)c1cc(C(F)(F)F)n[n-]1.O=C(c1cccc(-c2ccccn2)n1)c1cc(C(F)(F)F)n[n-]1.[Ru+2].
What is the InChIKey of bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);ruthenium(2+)?
The InChIKey is QIBOBIQUTSABOA-UHFFFAOYSA-L. The full InChI is InChI=1S/2C15H9F3N4O.Ru/c2*16-15(17,18)13-8-12(21-22-13)14(23)11-6-3-5-10(20-11)9-4-1-2-7-19-9;/h2*1-8H,(H,21,22,23);/q;;+2/p-2.
What are the key properties of bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);ruthenium(2+)?
bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);ruthenium(2+) has a molecular weight of 735.57 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);ruthenium(2+) is sourced from PubChem (CID 139131626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).