bis(1H-indazole);tetrachlororuthenium

C14H12Cl4N4Ru — CID 59281622

IUPACbis(1H-indazole);tetrachlororuthenium
SMILESCl[Ru](Cl)(Cl)Cl.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1
InChIInChI=1S/2C7H6N2.4ClH.Ru/c2*1-2-4-7-6(3-1)5-8-9-7;;;;;/h2*1-5H,(H,8,9);4*1H;/q;;;;;;+4/p-4
InChIKeySIHKLNQDIVPAOH-UHFFFAOYSA-J
MW479.16 g/mol
LogP5.88
Rot. Bonds

About bis(1H-indazole);tetrachlororuthenium

bis(1H-indazole);tetrachlororuthenium (PubChem CID 59281622) has the molecular formula C14H12Cl4N4Ru and a molecular weight of 479.16 g/mol. Its IUPAC name is bis(1H-indazole);tetrachlororuthenium.

Molecular Properties

Compound Namebis(1H-indazole);tetrachlororuthenium
PubChem CID59281622
Molecular FormulaC14H12Cl4N4Ru
Molecular Weight479.16 g/mol
Exact Mass477.89
IUPAC Namebis(1H-indazole);tetrachlororuthenium
SMILESCl[Ru](Cl)(Cl)Cl.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1
InChIInChI=1S/2C7H6N2.4ClH.Ru/c2*1-2-4-7-6(3-1)5-8-9-7;;;;;/h2*1-5H,(H,8,9);4*1H;/q;;;;;;+4/p-4
InChIKeySIHKLNQDIVPAOH-UHFFFAOYSA-J
XLogP5.88
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.16
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(1H-indazole);tetrachlororuthenium?
The IUPAC name of bis(1H-indazole);tetrachlororuthenium (CID 59281622) is bis(1H-indazole);tetrachlororuthenium.
What is the SMILES notation for bis(1H-indazole);tetrachlororuthenium?
The canonical SMILES for bis(1H-indazole);tetrachlororuthenium is Cl[Ru](Cl)(Cl)Cl.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.
What is the InChIKey of bis(1H-indazole);tetrachlororuthenium?
The InChIKey is SIHKLNQDIVPAOH-UHFFFAOYSA-J. The full InChI is InChI=1S/2C7H6N2.4ClH.Ru/c2*1-2-4-7-6(3-1)5-8-9-7;;;;;/h2*1-5H,(H,8,9);4*1H;/q;;;;;;+4/p-4.
What are the key properties of bis(1H-indazole);tetrachlororuthenium?
bis(1H-indazole);tetrachlororuthenium has a molecular weight of 479.16 g/mol, XLogP of 5.88, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-indazole);tetrachlororuthenium is sourced from PubChem (CID 59281622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).