tris(2-pyridin-2-ylpyridine-3-sulfonate);ruthenium(3+)

C30H21N6O9RuS3 — CID 19105502

IUPACtris(2-pyridin-2-ylpyridine-3-sulfonate);ruthenium(3+)
SMILESO=S(=O)([O-])c1cccnc1-c1ccccn1.O=S(=O)([O-])c1cccnc1-c1ccccn1.O=S(=O)([O-])c1cccnc1-c1ccccn1.[Ru+3]
InChIInChI=1S/3C10H8N2O3S.Ru/c3*13-16(14,15)9-5-3-7-12-10(9)8-4-1-2-6-11-8;/h3*1-7H,(H,13,14,15);/q;;;+3/p-3
InChIKeyZNGSXVFENCHCKJ-UHFFFAOYSA-K
MW806.80 g/mol
LogP3.14
Rot. Bonds6

About tris(2-pyridin-2-ylpyridine-3-sulfonate);ruthenium(3+)

tris(2-pyridin-2-ylpyridine-3-sulfonate);ruthenium(3+) (PubChem CID 19105502) has the molecular formula C30H21N6O9RuS3 and a molecular weight of 806.80 g/mol. Its IUPAC name is tris(2-pyridin-2-ylpyridine-3-sulfonate);ruthenium(3+).

Molecular Properties

Compound Nametris(2-pyridin-2-ylpyridine-3-sulfonate);ruthenium(3+)
PubChem CID19105502
Molecular FormulaC30H21N6O9RuS3
Molecular Weight806.80 g/mol
Exact Mass806.96
IUPAC Nametris(2-pyridin-2-ylpyridine-3-sulfonate);ruthenium(3+)
SMILESO=S(=O)([O-])c1cccnc1-c1ccccn1.O=S(=O)([O-])c1cccnc1-c1ccccn1.O=S(=O)([O-])c1cccnc1-c1ccccn1.[Ru+3]
InChIInChI=1S/3C10H8N2O3S.Ru/c3*13-16(14,15)9-5-3-7-12-10(9)8-4-1-2-6-11-8;/h3*1-7H,(H,13,14,15);/q;;;+3/p-3
InChIKeyZNGSXVFENCHCKJ-UHFFFAOYSA-K
XLogP3.14
TPSA248.94 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.80
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tris(2-pyridin-2-ylpyridine-3-sulfonate);ruthenium(3+)?
The IUPAC name of tris(2-pyridin-2-ylpyridine-3-sulfonate);ruthenium(3+) (CID 19105502) is tris(2-pyridin-2-ylpyridine-3-sulfonate);ruthenium(3+).
What is the SMILES notation for tris(2-pyridin-2-ylpyridine-3-sulfonate);ruthenium(3+)?
The canonical SMILES for tris(2-pyridin-2-ylpyridine-3-sulfonate);ruthenium(3+) is O=S(=O)([O-])c1cccnc1-c1ccccn1.O=S(=O)([O-])c1cccnc1-c1ccccn1.O=S(=O)([O-])c1cccnc1-c1ccccn1.[Ru+3].
What is the InChIKey of tris(2-pyridin-2-ylpyridine-3-sulfonate);ruthenium(3+)?
The InChIKey is ZNGSXVFENCHCKJ-UHFFFAOYSA-K. The full InChI is InChI=1S/3C10H8N2O3S.Ru/c3*13-16(14,15)9-5-3-7-12-10(9)8-4-1-2-6-11-8;/h3*1-7H,(H,13,14,15);/q;;;+3/p-3.
What are the key properties of tris(2-pyridin-2-ylpyridine-3-sulfonate);ruthenium(3+)?
tris(2-pyridin-2-ylpyridine-3-sulfonate);ruthenium(3+) has a molecular weight of 806.80 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-pyridin-2-ylpyridine-3-sulfonate);ruthenium(3+) is sourced from PubChem (CID 19105502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).