bis(acetonitrile);2-(1H-imidazol-2-yl)phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);chloride

C33H29ClN8ORu — CID 139140065

IUPACbis(acetonitrile);2-(1H-imidazol-2-yl)phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);chloride
SMILESCC#N.CC#N.[Cl-].[O-]c1ccccc1-c1ncc[nH]1.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.C9H8N2O.2C2H3N.ClH.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;12-8-4-2-1-3-7(8)9-10-5-6-11-9;2*1-2-3;;/h2*1-8H;1-6,12H,(H,10,11);2*1H3;1H;/q;;;;;;+2/p-2
InChIKeyQIKRXFNALXJHCH-UHFFFAOYSA-L
MW690.17 g/mol
LogP3.50
Rot. Bonds3

About bis(acetonitrile);2-(1H-imidazol-2-yl)phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);chloride

bis(acetonitrile);2-(1H-imidazol-2-yl)phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);chloride (PubChem CID 139140065) has the molecular formula C33H29ClN8ORu and a molecular weight of 690.17 g/mol. Its IUPAC name is bis(acetonitrile);2-(1H-imidazol-2-yl)phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);chloride.

Molecular Properties

Compound Namebis(acetonitrile);2-(1H-imidazol-2-yl)phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);chloride
PubChem CID139140065
Molecular FormulaC33H29ClN8ORu
Molecular Weight690.17 g/mol
Exact Mass690.12
IUPAC Namebis(acetonitrile);2-(1H-imidazol-2-yl)phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);chloride
SMILESCC#N.CC#N.[Cl-].[O-]c1ccccc1-c1ncc[nH]1.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.C9H8N2O.2C2H3N.ClH.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;12-8-4-2-1-3-7(8)9-10-5-6-11-9;2*1-2-3;;/h2*1-8H;1-6,12H,(H,10,11);2*1H3;1H;/q;;;;;;+2/p-2
InChIKeyQIKRXFNALXJHCH-UHFFFAOYSA-L
XLogP3.50
TPSA150.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500690.17
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylphenolate;ruthenium(2+);tetrafluoroborate
CID 139140066
Acetonitrile;2-imidazol-3-id-2-ylphenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
CID 139140069
dicopper;bis(1H-imidazole);(NE,3Z)-2-[3-[(Z)-C-oxido-N-[(E)-(2-oxidophenyl)methylideneamino]carbonimidoyl]-2-pyridinyl]-N-[(2-oxidophenyl)methylidene]pyridine-3-carbohydrazonate;propan-2-one
CID 139145313
2-[2-(1H-imidazol-4-yl)ethyliminomethyl]phenolate;oxygen(2-);2-pyridin-2-ylpyridine;vanadium(4+);hexafluorophosphate
CID 139167577
CID 57755207
CID 57755207
Beryllium;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;2-pyridin-1-ium-2-ylphenolate
CID 57763989
CID 58803464
CID 58803464
5-[9-butan-2-yl-6-[2-(4-hydroxy-3-methylphenyl)ethylamino]purin-2-yl]pyridine-3-carbonitrile;9-propan-2-yl-2-pyridin-3-yl-N-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]purin-6-amine
CID 89613822
Beryllium;2-(1-phenylbenzimidazol-3-ium-2-yl)cyclohexa-1,5-dien-1-olate;2-pyridin-1-ium-2-ylphenolate
CID 143516716
CID 157325573
CID 157325573
2-(1H-imidazol-4-yl)phenol;iridium;2-phenylpyridine
CID 162465598
2-[3-Methyl-8-(6-pyridin-2-yl-2-pyridinyl)imidazo[1,2-a]pyridin-2-yl]phenol;platinum
CID 168836115

Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);2-(1H-imidazol-2-yl)phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);chloride?
The IUPAC name of bis(acetonitrile);2-(1H-imidazol-2-yl)phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);chloride (CID 139140065) is bis(acetonitrile);2-(1H-imidazol-2-yl)phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);chloride.
What is the SMILES notation for bis(acetonitrile);2-(1H-imidazol-2-yl)phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);chloride?
The canonical SMILES for bis(acetonitrile);2-(1H-imidazol-2-yl)phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);chloride is CC#N.CC#N.[Cl-].[O-]c1ccccc1-c1ncc[nH]1.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis(acetonitrile);2-(1H-imidazol-2-yl)phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);chloride?
The InChIKey is QIKRXFNALXJHCH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H8N2.C9H8N2O.2C2H3N.ClH.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;12-8-4-2-1-3-7(8)9-10-5-6-11-9;2*1-2-3;;/h2*1-8H;1-6,12H,(H,10,11);2*1H3;1H;/q;;;;;;+2/p-2.
What are the key properties of bis(acetonitrile);2-(1H-imidazol-2-yl)phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);chloride?
bis(acetonitrile);2-(1H-imidazol-2-yl)phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);chloride has a molecular weight of 690.17 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);2-(1H-imidazol-2-yl)phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);chloride is sourced from PubChem (CID 139140065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).