4-(2-aminoethyl)benzene-1,2-diolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);trimethylphosphane;dihydrochloride

C31H36Cl2N5O2PRu — CID 156599117

IUPAC4-(2-aminoethyl)benzene-1,2-diolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);trimethylphosphane;dihydrochloride
SMILESCP(C)C.Cl.Cl.NCCc1ccc([O-])c([O-])c1.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.C8H11NO2.C3H9P.2ClH.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;9-4-3-6-1-2-7(10)8(11)5-6;1-4(2)3;;;/h2*1-8H;1-2,5,10-11H,3-4,9H2;1-3H3;2*1H;/q;;;;;;+2/p-2
InChIKeyFPJFHIJODNWCIM-UHFFFAOYSA-L
MW713.61 g/mol
LogP5.82
Rot. Bonds4

About 4-(2-aminoethyl)benzene-1,2-diolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);trimethylphosphane;dihydrochloride

4-(2-aminoethyl)benzene-1,2-diolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);trimethylphosphane;dihydrochloride (PubChem CID 156599117) has the molecular formula C31H36Cl2N5O2PRu and a molecular weight of 713.61 g/mol. Its IUPAC name is 4-(2-aminoethyl)benzene-1,2-diolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);trimethylphosphane;dihydrochloride.

Molecular Properties

Compound Name4-(2-aminoethyl)benzene-1,2-diolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);trimethylphosphane;dihydrochloride
PubChem CID156599117
Molecular FormulaC31H36Cl2N5O2PRu
Molecular Weight713.61 g/mol
Exact Mass713.10
IUPAC Name4-(2-aminoethyl)benzene-1,2-diolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);trimethylphosphane;dihydrochloride
SMILESCP(C)C.Cl.Cl.NCCc1ccc([O-])c([O-])c1.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.C8H11NO2.C3H9P.2ClH.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;9-4-3-6-1-2-7(10)8(11)5-6;1-4(2)3;;;/h2*1-8H;1-2,5,10-11H,3-4,9H2;1-3H3;2*1H;/q;;;;;;+2/p-2
InChIKeyFPJFHIJODNWCIM-UHFFFAOYSA-L
XLogP5.82
TPSA123.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.61
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(3-pyridin-2-ylphenyl)ethanamine
CID 39226476
2-(2-pyridin-2-yl-3H-benzimidazol-5-yl)ethanamine
CID 82292186
2-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)ethanamine
CID 83849082
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-(3,4-dimethoxy-5-pyridin-2-ylphenyl)ethanamine
CID 39226519
propane;2-pyridin-2-ylpyridine
CID 158168510
iridium;2-pyridin-2-ylpyridine;ruthenium
CID 174707743
2-pyridin-2-yl-5-[2-(6-pyridin-2-yl-3-pyridinyl)ethyl]pyridine
CID 102191368
2-(2-pyridin-2-ylphenyl)ethanamine
CID 22356817
2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride
CID 50988726
cobalt;ethane;tris(2-pyridin-2-ylpyridine)
CID 161013986
5-(2-aminoethyl)-4-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271260

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)benzene-1,2-diolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);trimethylphosphane;dihydrochloride?
The IUPAC name of 4-(2-aminoethyl)benzene-1,2-diolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);trimethylphosphane;dihydrochloride (CID 156599117) is 4-(2-aminoethyl)benzene-1,2-diolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);trimethylphosphane;dihydrochloride.
What is the SMILES notation for 4-(2-aminoethyl)benzene-1,2-diolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);trimethylphosphane;dihydrochloride?
The canonical SMILES for 4-(2-aminoethyl)benzene-1,2-diolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);trimethylphosphane;dihydrochloride is CP(C)C.Cl.Cl.NCCc1ccc([O-])c([O-])c1.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 4-(2-aminoethyl)benzene-1,2-diolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);trimethylphosphane;dihydrochloride?
The InChIKey is FPJFHIJODNWCIM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H8N2.C8H11NO2.C3H9P.2ClH.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;9-4-3-6-1-2-7(10)8(11)5-6;1-4(2)3;;;/h2*1-8H;1-2,5,10-11H,3-4,9H2;1-3H3;2*1H;/q;;;;;;+2/p-2.
What are the key properties of 4-(2-aminoethyl)benzene-1,2-diolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);trimethylphosphane;dihydrochloride?
4-(2-aminoethyl)benzene-1,2-diolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);trimethylphosphane;dihydrochloride has a molecular weight of 713.61 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)benzene-1,2-diolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);trimethylphosphane;dihydrochloride is sourced from PubChem (CID 156599117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).