azanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(4+);hexafluorophosphate

C24H22F6N5O4PRu — CID 138455541

IUPACazanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(4+);hexafluorophosphate
SMILESCc1ccncc1.Cc1ccncc1.F[P-](F)(F)(F)(F)F.O=C([O-])c1cccc(-c2cccc(C(=O)[O-])n2)n1.[NH2-].[Ru+4]
InChIInChI=1S/C12H8N2O4.2C6H7N.F6P.H2N.Ru/c15-11(16)9-5-1-3-7(13-9)8-4-2-6-10(14-8)12(17)18;2*1-6-2-4-7-5-3-6;1-7(2,3,4,5)6;;/h1-6H,(H,15,16)(H,17,18);2*2-5H,1H3;;1H2;/q;;;2*-1;+4/p-2
InChIKeyIEYWZAKBWSMEDX-UHFFFAOYSA-L
MW690.50 g/mol
LogP5.75
Rot. Bonds3

About azanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(4+);hexafluorophosphate

azanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(4+);hexafluorophosphate (PubChem CID 138455541) has the molecular formula C24H22F6N5O4PRu and a molecular weight of 690.50 g/mol. Its IUPAC name is azanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(4+);hexafluorophosphate.

Molecular Properties

Compound Nameazanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(4+);hexafluorophosphate
PubChem CID138455541
Molecular FormulaC24H22F6N5O4PRu
Molecular Weight690.50 g/mol
Exact Mass691.04
IUPAC Nameazanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(4+);hexafluorophosphate
SMILESCc1ccncc1.Cc1ccncc1.F[P-](F)(F)(F)(F)F.O=C([O-])c1cccc(-c2cccc(C(=O)[O-])n2)n1.[NH2-].[Ru+4]
InChIInChI=1S/C12H8N2O4.2C6H7N.F6P.H2N.Ru/c15-11(16)9-5-1-3-7(13-9)8-4-2-6-10(14-8)12(17)18;2*1-6-2-4-7-5-3-6;1-7(2,3,4,5)6;;/h1-6H,(H,15,16)(H,17,18);2*2-5H,1H3;;1H2;/q;;;2*-1;+4/p-2
InChIKeyIEYWZAKBWSMEDX-UHFFFAOYSA-L
XLogP5.75
TPSA165.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.50
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze azanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(4+);hexafluorophosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3'-Dibutyl-9,9'-spirobi[8-oxa-1$l^{5}-aza-9-plumbabicyclo[4.3.0]nona-1(6),2,4-triene]-7,7'-dione
CID 71594208
Tris(5-butylpyridine-2-carboxylic acid);iron
CID 91867238
3-(2,4-Difluorophenyl)pyridine-2-carboxylate;5-pyridin-2-yl-3-(trifluoromethyl)pyrazole-3-carboxylate;ruthenium(3+)
CID 159252361
6-(6-Carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(2+)
CID 56684304
Ru(II)(bda)(isoq)2
CID 56835789
Ru(II)(bda)(pic)2
CID 56835790
Ru(II)(bda)(isoq)2NH3
CID 138455537
Ru2-bda-N2
CID 138455538
[Ru(III)(bda)(pic)2][PF6]
CID 138455539
Ru(II)(bda)(pic)2NH3
CID 138455540
[bis(2,2'-bipyridine)(pyridine-2-carboxylato)ruthenium(II)] hexafluorophosphate
CID 139056803
Tris(5-butylpyridine-2-carboxylate);iron(3+)
CID 139058692

Frequently Asked Questions

What is the IUPAC name of azanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(4+);hexafluorophosphate?
The IUPAC name of azanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(4+);hexafluorophosphate (CID 138455541) is azanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(4+);hexafluorophosphate.
What is the SMILES notation for azanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(4+);hexafluorophosphate?
The canonical SMILES for azanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(4+);hexafluorophosphate is Cc1ccncc1.Cc1ccncc1.F[P-](F)(F)(F)(F)F.O=C([O-])c1cccc(-c2cccc(C(=O)[O-])n2)n1.[NH2-].[Ru+4].
What is the InChIKey of azanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(4+);hexafluorophosphate?
The InChIKey is IEYWZAKBWSMEDX-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H8N2O4.2C6H7N.F6P.H2N.Ru/c15-11(16)9-5-1-3-7(13-9)8-4-2-6-10(14-8)12(17)18;2*1-6-2-4-7-5-3-6;1-7(2,3,4,5)6;;/h1-6H,(H,15,16)(H,17,18);2*2-5H,1H3;;1H2;/q;;;2*-1;+4/p-2.
What are the key properties of azanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(4+);hexafluorophosphate?
azanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(4+);hexafluorophosphate has a molecular weight of 690.50 g/mol, XLogP of 5.75, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(4+);hexafluorophosphate is sourced from PubChem (CID 138455541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).