pyridine-2-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate

C26H20F6N5O2PRu — CID 139056803

IUPACpyridine-2-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.O=C([O-])c1ccccn1.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.C6H5NO2.F6P.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;8-6(9)5-3-1-2-4-7-5;1-7(2,3,4,5)6;/h2*1-8H;1-4H,(H,8,9);;/q;;;-1;+2/p-1
InChIKeyVYPRAFIDTOAPEU-UHFFFAOYSA-M
MW680.51 g/mol
LogP7.11
Rot. Bonds3

About pyridine-2-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate

pyridine-2-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate (PubChem CID 139056803) has the molecular formula C26H20F6N5O2PRu and a molecular weight of 680.51 g/mol. Its IUPAC name is pyridine-2-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate.

Molecular Properties

Compound Namepyridine-2-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate
PubChem CID139056803
Molecular FormulaC26H20F6N5O2PRu
Molecular Weight680.51 g/mol
Exact Mass681.03
IUPAC Namepyridine-2-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.O=C([O-])c1ccccn1.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.C6H5NO2.F6P.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;8-6(9)5-3-1-2-4-7-5;1-7(2,3,4,5)6;/h2*1-8H;1-4H,(H,8,9);;/q;;;-1;+2/p-1
InChIKeyVYPRAFIDTOAPEU-UHFFFAOYSA-M
XLogP7.11
TPSA104.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.51
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Chromium tripicolinate
CID 56840998
2-(4-Carboxylato-2-pyridinyl)pyridine-4-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
CID 168344486
Iridium;pyridine-2-carboxylic acid;2-[5-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine
CID 23568214
tris(pyridine-2-carboxylato-kappa(2)N,O)chromium
CID 24883444
Iridium;2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;pyridine-2-carboxylic acid
CID 136013306
Bis(2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine);bis(iridium);pyridine-2-carboxylic acid
CID 158682098
2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);2-phenylpyridine;bis(pyridine-2-carboxylic acid)
CID 159992137
Bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(iridium);iridium(3+);2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;tris(2-phenylpyridine);bis(pyridine-2-carboxylic acid)
CID 161077646
Ru(II)(bda)(pic)2
CID 56835790
Ru2-bda-N2
CID 138455538
[Ru(III)(bda)(pic)2][PF6]
CID 138455539
Ru(II)(bda)(pic)2NH3
CID 138455540

Frequently Asked Questions

What is the IUPAC name of pyridine-2-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate?
The IUPAC name of pyridine-2-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate (CID 139056803) is pyridine-2-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate.
What is the SMILES notation for pyridine-2-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate?
The canonical SMILES for pyridine-2-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate is F[P-](F)(F)(F)(F)F.O=C([O-])c1ccccn1.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of pyridine-2-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate?
The InChIKey is VYPRAFIDTOAPEU-UHFFFAOYSA-M. The full InChI is InChI=1S/2C10H8N2.C6H5NO2.F6P.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;8-6(9)5-3-1-2-4-7-5;1-7(2,3,4,5)6;/h2*1-8H;1-4H,(H,8,9);;/q;;;-1;+2/p-1.
What are the key properties of pyridine-2-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate?
pyridine-2-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate has a molecular weight of 680.51 g/mol, XLogP of 7.11, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-2-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate is sourced from PubChem (CID 139056803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).