carbanide;dichlororuthenium;tris(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);trichlororuthenium

C37H27Cl5N6O12Ru2- — CID 158249060

IUPACcarbanide;dichlororuthenium;tris(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);trichlororuthenium
SMILESCl[Ru](Cl)Cl.Cl[Ru]Cl.O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.[CH3-]
InChIInChI=1S/3C12H8N2O4.CH3.5ClH.2Ru/c3*15-7-18-9-2-4-14-11(6-9)10-5-8(12(16)17)1-3-13-10;;;;;;;;/h3*1-7H,(H,16,17);1H3;5*1H;;/q;;;-1;;;;;;+2;+3/p-5
InChIKeyGGMJCBPTUXARRS-UHFFFAOYSA-I
MW1127.06 g/mol
LogP8.02
Rot. Bonds12

About carbanide;dichlororuthenium;tris(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);trichlororuthenium

carbanide;dichlororuthenium;tris(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);trichlororuthenium (PubChem CID 158249060) has the molecular formula C37H27Cl5N6O12Ru2- and a molecular weight of 1127.06 g/mol. Its IUPAC name is carbanide;dichlororuthenium;tris(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);trichlororuthenium.

Molecular Properties

Compound Namecarbanide;dichlororuthenium;tris(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);trichlororuthenium
PubChem CID158249060
Molecular FormulaC37H27Cl5N6O12Ru2-
Molecular Weight1127.06 g/mol
Exact Mass1125.82
IUPAC Namecarbanide;dichlororuthenium;tris(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);trichlororuthenium
SMILESCl[Ru](Cl)Cl.Cl[Ru]Cl.O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.[CH3-]
InChIInChI=1S/3C12H8N2O4.CH3.5ClH.2Ru/c3*15-7-18-9-2-4-14-11(6-9)10-5-8(12(16)17)1-3-13-10;;;;;;;;/h3*1-7H,(H,16,17);1H3;5*1H;;/q;;;-1;;;;;;+2;+3/p-5
InChIKeyGGMJCBPTUXARRS-UHFFFAOYSA-I
XLogP8.02
TPSA268.14 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001127.06
LogP ≤ 58.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze carbanide;dichlororuthenium;tris(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);trichlororuthenium 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

[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate
CID 58130106
bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
CID 11982105
bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;4-[(E)-2-phenylethenyl]-2-[4-[(E)-2-phenylethenyl]-2-pyridinyl]pyridine;bis(ruthenium(2+));tetraisothiocyanate
CID 159959757
2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(1,10-phenanthroline);bis(ruthenium(1+))
CID 58239573
2-(4-formyloxyquinolin-2-yl)pyridine-4-carboxylic acid
CID 58321412
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
CID 14951635
2-(4-carboxy-2-pyridinyl)quinoline-4-carboxylic acid;[2-(4-formyloxyquinolin-2-yl)-4-pyridinyl] formate;2-phenylpyridine;ruthenium(1+)
CID 58321420
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium;bis(2-pyridin-2-ylpyridine)
CID 162025014
2-pyridin-2-ylpyridine-4-carboxylic acid;dihydrochloride
CID 91928344
2-(4-formyloxy-6-methyl-2-pyridinyl)-6-methylpyridine-4-carboxylic acid
CID 140637918
2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;2-[4-(5-hexylsulfanylthiophen-2-yl)-2-pyridinyl]-4-(5-methylthiophen-2-yl)pyridine;ruthenium(2+);diisothiocyanate
CID 159903811
6-(4-carboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid
CID 58788780

Frequently Asked Questions

What is the IUPAC name of carbanide;dichlororuthenium;tris(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);trichlororuthenium?
The IUPAC name of carbanide;dichlororuthenium;tris(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);trichlororuthenium (CID 158249060) is carbanide;dichlororuthenium;tris(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);trichlororuthenium.
What is the SMILES notation for carbanide;dichlororuthenium;tris(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);trichlororuthenium?
The canonical SMILES for carbanide;dichlororuthenium;tris(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);trichlororuthenium is Cl[Ru](Cl)Cl.Cl[Ru]Cl.O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.[CH3-].
What is the InChIKey of carbanide;dichlororuthenium;tris(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);trichlororuthenium?
The InChIKey is GGMJCBPTUXARRS-UHFFFAOYSA-I. The full InChI is InChI=1S/3C12H8N2O4.CH3.5ClH.2Ru/c3*15-7-18-9-2-4-14-11(6-9)10-5-8(12(16)17)1-3-13-10;;;;;;;;/h3*1-7H,(H,16,17);1H3;5*1H;;/q;;;-1;;;;;;+2;+3/p-5.
What are the key properties of carbanide;dichlororuthenium;tris(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);trichlororuthenium?
carbanide;dichlororuthenium;tris(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);trichlororuthenium has a molecular weight of 1127.06 g/mol, XLogP of 8.02, 12 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;dichlororuthenium;tris(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);trichlororuthenium is sourced from PubChem (CID 158249060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).