bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);3-methylpentane-2,4-diol;ruthenium

C30H30N4O10Ru — CID 20609468

IUPACbis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);3-methylpentane-2,4-diol;ruthenium
SMILESCC(O)C(C)C(C)O.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru]
InChIInChI=1S/2C12H8N2O4.C6H14O2.Ru/c2*15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;1-4(5(2)7)6(3)8;/h2*1-6H,(H,15,16)(H,17,18);4-8H,1-3H3;
InChIKeyDHRCCTZBCRTIFA-UHFFFAOYSA-N
MW707.66 g/mol
LogP3.46
Rot. Bonds8

About bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);3-methylpentane-2,4-diol;ruthenium

bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);3-methylpentane-2,4-diol;ruthenium (PubChem CID 20609468) has the molecular formula C30H30N4O10Ru and a molecular weight of 707.66 g/mol. Its IUPAC name is bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);3-methylpentane-2,4-diol;ruthenium.

Molecular Properties

Compound Namebis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);3-methylpentane-2,4-diol;ruthenium
PubChem CID20609468
Molecular FormulaC30H30N4O10Ru
Molecular Weight707.66 g/mol
Exact Mass708.10
IUPAC Namebis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);3-methylpentane-2,4-diol;ruthenium
SMILESCC(O)C(C)C(C)O.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru]
InChIInChI=1S/2C12H8N2O4.C6H14O2.Ru/c2*15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;1-4(5(2)7)6(3)8;/h2*1-6H,(H,15,16)(H,17,18);4-8H,1-3H3;
InChIKeyDHRCCTZBCRTIFA-UHFFFAOYSA-N
XLogP3.46
TPSA241.22 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.66
LogP ≤ 53.46
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

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Related Compounds

2,2':6',2''-Terpyridine-4'-carboxylic Acid
CID 2762749
Bis(isothiocyanato)bis(2,2'-bipyridyl-4,4'-dicarboxylato)ruthenium(II)
CID 10985370
Ruthenium bis(bipyridine)dicarboxybipyridine
CID 3081541
[2,2':6',2''-Terpyridine]-4,4',4''-tricarboxylic acid
CID 11233869
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
8-[(2-Fluoro-4-pyridinyl)methyl]-8-(pyridin-4-ylmethyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-6-carboxylic acid
CID 19606088
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

Frequently Asked Questions

What is the IUPAC name of bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);3-methylpentane-2,4-diol;ruthenium?
The IUPAC name of bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);3-methylpentane-2,4-diol;ruthenium (CID 20609468) is bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);3-methylpentane-2,4-diol;ruthenium.
What is the SMILES notation for bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);3-methylpentane-2,4-diol;ruthenium?
The canonical SMILES for bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);3-methylpentane-2,4-diol;ruthenium is CC(O)C(C)C(C)O.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru].
What is the InChIKey of bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);3-methylpentane-2,4-diol;ruthenium?
The InChIKey is DHRCCTZBCRTIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H8N2O4.C6H14O2.Ru/c2*15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;1-4(5(2)7)6(3)8;/h2*1-6H,(H,15,16)(H,17,18);4-8H,1-3H3;.
What are the key properties of bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);3-methylpentane-2,4-diol;ruthenium?
bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);3-methylpentane-2,4-diol;ruthenium has a molecular weight of 707.66 g/mol, XLogP of 3.46, 8 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);3-methylpentane-2,4-diol;ruthenium is sourced from PubChem (CID 20609468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).