amino 2-(4-aminooxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;2-(4-aminooxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;1,3-dimethoxypropane-1,3-diol;ruthenium

C29H30N7O12Ru- — CID 20609471

IUPACamino 2-(4-aminooxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;2-(4-aminooxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;1,3-dimethoxypropane-1,3-diol;ruthenium
SMILESCOC(O)CC(O)OC.NOC(=O)c1ccnc(-c2cc(C(=O)ON)ccn2)c1.NOC(=O)c1ccnc(-c2cc(C(=O)[O-])ccn2)c1.[Ru]
InChIInChI=1S/C12H10N4O4.C12H9N3O4.C5H12O4.Ru/c13-19-11(17)7-1-3-15-9(5-7)10-6-8(2-4-16-10)12(18)20-14;13-19-12(18)8-2-4-15-10(6-8)9-5-7(11(16)17)1-3-14-9;1-8-4(6)3-5(7)9-2;/h1-6H,13-14H2;1-6H,13H2,(H,16,17);4-7H,3H2,1-2H3;/p-1
InChIKeyZXUBIAQCMNLWPW-UHFFFAOYSA-M
MW769.67 g/mol
LogP-0.95
Rot. Bonds10

About amino 2-(4-aminooxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;2-(4-aminooxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;1,3-dimethoxypropane-1,3-diol;ruthenium

amino 2-(4-aminooxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;2-(4-aminooxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;1,3-dimethoxypropane-1,3-diol;ruthenium (PubChem CID 20609471) has the molecular formula C29H30N7O12Ru- and a molecular weight of 769.67 g/mol. Its IUPAC name is amino 2-(4-aminooxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;2-(4-aminooxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;1,3-dimethoxypropane-1,3-diol;ruthenium.

Molecular Properties

Compound Nameamino 2-(4-aminooxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;2-(4-aminooxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;1,3-dimethoxypropane-1,3-diol;ruthenium
PubChem CID20609471
Molecular FormulaC29H30N7O12Ru-
Molecular Weight769.67 g/mol
Exact Mass770.10
IUPAC Nameamino 2-(4-aminooxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;2-(4-aminooxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;1,3-dimethoxypropane-1,3-diol;ruthenium
SMILESCOC(O)CC(O)OC.NOC(=O)c1ccnc(-c2cc(C(=O)ON)ccn2)c1.NOC(=O)c1ccnc(-c2cc(C(=O)[O-])ccn2)c1.[Ru]
InChIInChI=1S/C12H10N4O4.C12H9N3O4.C5H12O4.Ru/c13-19-11(17)7-1-3-15-9(5-7)10-6-8(2-4-16-10)12(18)20-14;13-19-12(18)8-2-4-15-10(6-8)9-5-7(11(16)17)1-3-14-9;1-8-4(6)3-5(7)9-2;/h1-6H,13-14H2;1-6H,13H2,(H,16,17);4-7H,3H2,1-2H3;/p-1
InChIKeyZXUBIAQCMNLWPW-UHFFFAOYSA-M
XLogP-0.95
TPSA307.57 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.67
LogP ≤ 5-0.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Bis(isothiocyanato)bis(2,2'-bipyridyl-4,4'-dicarboxylato)ruthenium(II)
CID 10985370
Ruthenium bis(bipyridine)dicarboxybipyridine
CID 3081541
Di-tetrabutylammonium cis-bis(isothiocyanato)bis(2,2'-bipyridyl-4,4'-dicarboxylato)ruthenium(II), 95% (NMR)
CID 71310680
Bis(2,2'-bipyridyl-4,4'-dicarboxylate) ruthenium
CID 129664332
Diethyl 2,2'-bipyridine-4,4'-dicarboxylate
CID 139049162
2-(4-Carboxylato-2-pyridinyl)pyridine-4-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
CID 168344486
cis-Bis(isothiocyanato)bis(2,2'-bipyridyl-4,4'-dicarboxylato)ruthenium(II)
CID 15972006
2-(4-Carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;2-pyridin-2-ylpyridine;ruthenium(1+)
CID 58510481
2-(4-Carboxylato-2-pyridinyl)-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate;ruthenium(1+);1,1,1-trifluoropentane-2,4-dione;thiocyanate
CID 58831443
Bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);ruthenium(2+);diisothiocyanate
CID 60017239
Bis(carbon dioxide);2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;propane;2-pyridin-2-ylpyridine;ruthenium(1+)
CID 159788127
Bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium;methyl 2-(4-methoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate
CID 171721110

Frequently Asked Questions

What is the IUPAC name of amino 2-(4-aminooxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;2-(4-aminooxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;1,3-dimethoxypropane-1,3-diol;ruthenium?
The IUPAC name of amino 2-(4-aminooxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;2-(4-aminooxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;1,3-dimethoxypropane-1,3-diol;ruthenium (CID 20609471) is amino 2-(4-aminooxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;2-(4-aminooxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;1,3-dimethoxypropane-1,3-diol;ruthenium.
What is the SMILES notation for amino 2-(4-aminooxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;2-(4-aminooxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;1,3-dimethoxypropane-1,3-diol;ruthenium?
The canonical SMILES for amino 2-(4-aminooxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;2-(4-aminooxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;1,3-dimethoxypropane-1,3-diol;ruthenium is COC(O)CC(O)OC.NOC(=O)c1ccnc(-c2cc(C(=O)ON)ccn2)c1.NOC(=O)c1ccnc(-c2cc(C(=O)[O-])ccn2)c1.[Ru].
What is the InChIKey of amino 2-(4-aminooxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;2-(4-aminooxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;1,3-dimethoxypropane-1,3-diol;ruthenium?
The InChIKey is ZXUBIAQCMNLWPW-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H10N4O4.C12H9N3O4.C5H12O4.Ru/c13-19-11(17)7-1-3-15-9(5-7)10-6-8(2-4-16-10)12(18)20-14;13-19-12(18)8-2-4-15-10(6-8)9-5-7(11(16)17)1-3-14-9;1-8-4(6)3-5(7)9-2;/h1-6H,13-14H2;1-6H,13H2,(H,16,17);4-7H,3H2,1-2H3;/p-1.
What are the key properties of amino 2-(4-aminooxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;2-(4-aminooxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;1,3-dimethoxypropane-1,3-diol;ruthenium?
amino 2-(4-aminooxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;2-(4-aminooxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;1,3-dimethoxypropane-1,3-diol;ruthenium has a molecular weight of 769.67 g/mol, XLogP of -0.95, 10 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2-(4-aminooxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;2-(4-aminooxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;1,3-dimethoxypropane-1,3-diol;ruthenium is sourced from PubChem (CID 20609471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).