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'}

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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).