acetonitrile;2-imidazol-3-id-2-ylphenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+)

C31H25N7ORu — CID 139140069

IUPACacetonitrile;2-imidazol-3-id-2-ylphenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
SMILESCC#N.[O-]c1ccccc1-c1ncc[n-]1.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.C9H7N2O.C2H3N.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;1-2-3;/h2*1-8H;1-6H,(H-,10,11,12);1H3;/q;;-1;;+2/p-1
InChIKeyKGXOXOOJSDQWSM-UHFFFAOYSA-M
MW612.66 g/mol
LogP5.59
Rot. Bonds3

About acetonitrile;2-imidazol-3-id-2-ylphenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+)

acetonitrile;2-imidazol-3-id-2-ylphenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+) (PubChem CID 139140069) has the molecular formula C31H25N7ORu and a molecular weight of 612.66 g/mol. Its IUPAC name is acetonitrile;2-imidazol-3-id-2-ylphenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+).

Molecular Properties

Compound Nameacetonitrile;2-imidazol-3-id-2-ylphenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
PubChem CID139140069
Molecular FormulaC31H25N7ORu
Molecular Weight612.66 g/mol
Exact Mass613.12
IUPAC Nameacetonitrile;2-imidazol-3-id-2-ylphenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
SMILESCC#N.[O-]c1ccccc1-c1ncc[n-]1.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.C9H7N2O.C2H3N.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;1-2-3;/h2*1-8H;1-6H,(H-,10,11,12);1H3;/q;;-1;;+2/p-1
InChIKeyKGXOXOOJSDQWSM-UHFFFAOYSA-M
XLogP5.59
TPSA125.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.66
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

bis(acetonitrile);2-(1H-imidazol-2-yl)phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);chloride
CID 139140065
Bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylphenolate;ruthenium(2+);tetrafluoroborate
CID 139140066
Bis(oxygen(2-));2-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate;vanadium
CID 139162542
Dicopper;bis(2-[[(1-methylimidazol-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate
CID 139166075
Cobalt(2+);bis(5-(diethylamino)-2-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate)
CID 139181540
CID 18684228
CID 18684228
CID 57755193
CID 57755193
CID 57755197
CID 57755197
CID 57755207
CID 57755207
2-[2-[4-(2-Hydroxyphenyl)-1-phenylimidazol-2-yl]-1-phenylimidazol-4-yl]phenol;platinum
CID 57796193
CID 58695149
CID 58695149
CID 58803398
CID 58803398

Frequently Asked Questions

What is the IUPAC name of acetonitrile;2-imidazol-3-id-2-ylphenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+)?
The IUPAC name of acetonitrile;2-imidazol-3-id-2-ylphenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+) (CID 139140069) is acetonitrile;2-imidazol-3-id-2-ylphenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+).
What is the SMILES notation for acetonitrile;2-imidazol-3-id-2-ylphenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+)?
The canonical SMILES for acetonitrile;2-imidazol-3-id-2-ylphenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+) is CC#N.[O-]c1ccccc1-c1ncc[n-]1.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of acetonitrile;2-imidazol-3-id-2-ylphenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+)?
The InChIKey is KGXOXOOJSDQWSM-UHFFFAOYSA-M. The full InChI is InChI=1S/2C10H8N2.C9H7N2O.C2H3N.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;1-2-3;/h2*1-8H;1-6H,(H-,10,11,12);1H3;/q;;-1;;+2/p-1.
What are the key properties of acetonitrile;2-imidazol-3-id-2-ylphenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+)?
acetonitrile;2-imidazol-3-id-2-ylphenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+) has a molecular weight of 612.66 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;2-imidazol-3-id-2-ylphenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+) is sourced from PubChem (CID 139140069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).