azanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+)

C24H22N5O4Ru — CID 138455540

IUPACazanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+)
SMILESCc1ccncc1.Cc1ccncc1.O=C([O-])c1cccc(-c2cccc(C(=O)[O-])n2)n1.[NH2-].[Ru+3]
InChIInChI=1S/C12H8N2O4.2C6H7N.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;;/h1-6H,(H,15,16)(H,17,18);2*2-5H,1H3;1H2;/q;;;-1;+3/p-2
InChIKeyONNCAZKBRNQQBK-UHFFFAOYSA-L
MW545.54 g/mol
LogP2.37
Rot. Bonds3

About azanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+)

azanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+) (PubChem CID 138455540) has the molecular formula C24H22N5O4Ru and a molecular weight of 545.54 g/mol. Its IUPAC name is azanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+).

Molecular Properties

Compound Nameazanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+)
PubChem CID138455540
Molecular FormulaC24H22N5O4Ru
Molecular Weight545.54 g/mol
Exact Mass546.07
IUPAC Nameazanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+)
SMILESCc1ccncc1.Cc1ccncc1.O=C([O-])c1cccc(-c2cccc(C(=O)[O-])n2)n1.[NH2-].[Ru+3]
InChIInChI=1S/C12H8N2O4.2C6H7N.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;;/h1-6H,(H,15,16)(H,17,18);2*2-5H,1H3;1H2;/q;;;-1;+3/p-2
InChIKeyONNCAZKBRNQQBK-UHFFFAOYSA-L
XLogP2.37
TPSA165.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.54
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3,3'-Dibutyl-9,9'-spirobi[8-oxa-1$l^{5}-aza-9$l^{4}-cuprabicyclo[4.3.0]nona-1(6),2,4-triene]-7,7'-dione
CID 71594095
3,3'-Dibutyl-9,9'-spirobi[8-oxa-1$l^{5}-aza-9$l^{4}-cadmabicyclo[4.3.0]nona-1(6),2,4-triene]-7,7'-dione
CID 71594096
3,3'-Dibutyl-9,9'-spirobi[8-oxa-1$l^{5}-aza-9$l^{4}-zincabicyclo[4.3.0]nona-1(6),2,4-triene]-7,7'-dione
CID 71594097
3,3'-Dibutyl-9,9'-spirobi[8-oxa-1$l^{5}-aza-9$l^{4}-manganabicyclo[4.3.0]nona-1(6),2,4-triene]-7,7'-dione
CID 71594098
3,3'-Dibutyl-9,9'-spirobi[8-oxa-1$l^{5}-aza-9$l^{4}-ferrabicyclo[4.3.0]nona-1(6),2,4-triene]-7,7'-dione
CID 71594099
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
2-(4-Carboxylato-2-pyridinyl)pyridine-4-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
CID 168344486
Bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);ruthenium(2+);diisothiocyanate
CID 60017239
6-(6-Carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(2+)
CID 56684304
6-(6-Carboxylato-2-pyridinyl)pyridine-2-carboxylate;isoquinoline;ruthenium(2+)
CID 56684305
Ru(II)(bda)(isoq)2
CID 56835789

Frequently Asked Questions

What is the IUPAC name of azanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+)?
The IUPAC name of azanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+) (CID 138455540) is azanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+).
What is the SMILES notation for azanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+)?
The canonical SMILES for azanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+) is Cc1ccncc1.Cc1ccncc1.O=C([O-])c1cccc(-c2cccc(C(=O)[O-])n2)n1.[NH2-].[Ru+3].
What is the InChIKey of azanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+)?
The InChIKey is ONNCAZKBRNQQBK-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H8N2O4.2C6H7N.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;;/h1-6H,(H,15,16)(H,17,18);2*2-5H,1H3;1H2;/q;;;-1;+3/p-2.
What are the key properties of azanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+)?
azanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+) has a molecular weight of 545.54 g/mol, XLogP of 2.37, 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(3+) is sourced from PubChem (CID 138455540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).