2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;pentane-2,4-diol;ruthenium

C29H32N4O6Ru — CID 20609464

IUPAC2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;pentane-2,4-diol;ruthenium
SMILESCC(O)CC(C)O.Cc1ccnc(-c2cc(C)ccn2)c1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru]
InChIInChI=1S/C12H8N2O4.C12H12N2.C5H12O2.Ru/c15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;1-4(6)3-5(2)7;/h1-6H,(H,15,16)(H,17,18);3-8H,1-2H3;4-7H,3H2,1-2H3;
InChIKeySYDSYMCGVFRXJF-UHFFFAOYSA-N
MW633.67 g/mol
LogP4.44
Rot. Bonds6

About 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;pentane-2,4-diol;ruthenium

2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;pentane-2,4-diol;ruthenium (PubChem CID 20609464) has the molecular formula C29H32N4O6Ru and a molecular weight of 633.67 g/mol. Its IUPAC name is 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;pentane-2,4-diol;ruthenium.

Molecular Properties

Compound Name2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;pentane-2,4-diol;ruthenium
PubChem CID20609464
Molecular FormulaC29H32N4O6Ru
Molecular Weight633.67 g/mol
Exact Mass634.14
IUPAC Name2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;pentane-2,4-diol;ruthenium
SMILESCC(O)CC(C)O.Cc1ccnc(-c2cc(C)ccn2)c1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru]
InChIInChI=1S/C12H8N2O4.C12H12N2.C5H12O2.Ru/c15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;1-4(6)3-5(2)7;/h1-6H,(H,15,16)(H,17,18);3-8H,1-2H3;4-7H,3H2,1-2H3;
InChIKeySYDSYMCGVFRXJF-UHFFFAOYSA-N
XLogP4.44
TPSA166.62 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500633.67
LogP ≤ 54.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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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
Cis-bis(isothiocyanato)(2,2 inverted exclamation marka-bipyridyl-4,4 inverted exclamation marka-dicarboxylato)(4,4 inverted exclamation marka-bis(5-hexylthiophen-2-yl)-2,2 inverted exclamation marka-bipyridyl)ruthenium(II)
CID 58489256
2-(6-Pyridin-3-yl-2-pyridinyl)pyridine-4-carboxylic acid
CID 168282305
Ruthenium bis(bipyridine)dicarboxybipyridine
CID 3081541
3,5-Bis((bis(2-pyridylmethyl)amino)methyl)benzoic acid
CID 66690508
Cis-bis(thiocyanato)(2,2'-bipyridyl-4,4'-dicarboxylic acid)(4,4'-bis(phexyloxystyryl)-2,2'-bipyridine)ruthenium(II)
CID 155905579
[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
2-(3-Pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid
CID 90992560
Bis(2,2'-bipyridyl-4,4'-dicarboxylate) ruthenium
CID 129664332
Diethyl 2,2'-bipyridine-4,4'-dicarboxylate
CID 139049162

Frequently Asked Questions

What is the IUPAC name of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;pentane-2,4-diol;ruthenium?
The IUPAC name of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;pentane-2,4-diol;ruthenium (CID 20609464) is 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;pentane-2,4-diol;ruthenium.
What is the SMILES notation for 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;pentane-2,4-diol;ruthenium?
The canonical SMILES for 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;pentane-2,4-diol;ruthenium is CC(O)CC(C)O.Cc1ccnc(-c2cc(C)ccn2)c1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru].
What is the InChIKey of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;pentane-2,4-diol;ruthenium?
The InChIKey is SYDSYMCGVFRXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O4.C12H12N2.C5H12O2.Ru/c15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;1-4(6)3-5(2)7;/h1-6H,(H,15,16)(H,17,18);3-8H,1-2H3;4-7H,3H2,1-2H3;.
What are the key properties of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;pentane-2,4-diol;ruthenium?
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;pentane-2,4-diol;ruthenium has a molecular weight of 633.67 g/mol, XLogP of 4.44, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;pentane-2,4-diol;ruthenium is sourced from PubChem (CID 20609464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).