2,6-bis(3,5-dimethylpyrazol-1-yl)pyridine;dichlororuthenium;triphenylphosphane

C33H32Cl2N5PRu — CID 11614572

IUPAC2,6-bis(3,5-dimethylpyrazol-1-yl)pyridine;dichlororuthenium;triphenylphosphane
SMILESCc1cc(C)n(-c2cccc(-n3nc(C)cc3C)n2)n1.Cl[Ru]Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C15H17N5.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10-8-12(3)19(17-10)14-6-5-7-15(16-14)20-13(4)9-11(2)18-20;;;/h1-15H;5-9H,1-4H3;2*1H;/q;;;;+2/p-2
InChIKeyHDFTUCOICLPVEW-UHFFFAOYSA-L
MW701.60 g/mol
LogP7.51
Rot. Bonds5

About 2,6-bis(3,5-dimethylpyrazol-1-yl)pyridine;dichlororuthenium;triphenylphosphane

2,6-bis(3,5-dimethylpyrazol-1-yl)pyridine;dichlororuthenium;triphenylphosphane (PubChem CID 11614572) has the molecular formula C33H32Cl2N5PRu and a molecular weight of 701.60 g/mol. Its IUPAC name is 2,6-bis(3,5-dimethylpyrazol-1-yl)pyridine;dichlororuthenium;triphenylphosphane.

Molecular Properties

Compound Name2,6-bis(3,5-dimethylpyrazol-1-yl)pyridine;dichlororuthenium;triphenylphosphane
PubChem CID11614572
Molecular FormulaC33H32Cl2N5PRu
Molecular Weight701.60 g/mol
Exact Mass701.08
IUPAC Name2,6-bis(3,5-dimethylpyrazol-1-yl)pyridine;dichlororuthenium;triphenylphosphane
SMILESCc1cc(C)n(-c2cccc(-n3nc(C)cc3C)n2)n1.Cl[Ru]Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C15H17N5.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10-8-12(3)19(17-10)14-6-5-7-15(16-14)20-13(4)9-11(2)18-20;;;/h1-15H;5-9H,1-4H3;2*1H;/q;;;;+2/p-2
InChIKeyHDFTUCOICLPVEW-UHFFFAOYSA-L
XLogP7.51
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.60
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(3,5-dimethylpyrazol-1-yl)pyridine;dichlororuthenium;triphenylphosphane?
The IUPAC name of 2,6-bis(3,5-dimethylpyrazol-1-yl)pyridine;dichlororuthenium;triphenylphosphane (CID 11614572) is 2,6-bis(3,5-dimethylpyrazol-1-yl)pyridine;dichlororuthenium;triphenylphosphane.
What is the SMILES notation for 2,6-bis(3,5-dimethylpyrazol-1-yl)pyridine;dichlororuthenium;triphenylphosphane?
The canonical SMILES for 2,6-bis(3,5-dimethylpyrazol-1-yl)pyridine;dichlororuthenium;triphenylphosphane is Cc1cc(C)n(-c2cccc(-n3nc(C)cc3C)n2)n1.Cl[Ru]Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2,6-bis(3,5-dimethylpyrazol-1-yl)pyridine;dichlororuthenium;triphenylphosphane?
The InChIKey is HDFTUCOICLPVEW-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H15P.C15H17N5.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10-8-12(3)19(17-10)14-6-5-7-15(16-14)20-13(4)9-11(2)18-20;;;/h1-15H;5-9H,1-4H3;2*1H;/q;;;;+2/p-2.
What are the key properties of 2,6-bis(3,5-dimethylpyrazol-1-yl)pyridine;dichlororuthenium;triphenylphosphane?
2,6-bis(3,5-dimethylpyrazol-1-yl)pyridine;dichlororuthenium;triphenylphosphane has a molecular weight of 701.60 g/mol, XLogP of 7.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(3,5-dimethylpyrazol-1-yl)pyridine;dichlororuthenium;triphenylphosphane is sourced from PubChem (CID 11614572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).