acetonitrile;dichlororuthenium

C2H3Cl2NRu — CID 161433653

IUPACacetonitrile;dichlororuthenium
SMILESCC#N.Cl[Ru]Cl
InChIInChI=1S/C2H3N.2ClH.Ru/c1-2-3;;;/h1H3;2*1H;/q;;;+2/p-2
InChIKeyVYIUFNIIDBEMOP-UHFFFAOYSA-L
MW213.03 g/mol
LogP1.91
Rot. Bonds

About acetonitrile;dichlororuthenium

acetonitrile;dichlororuthenium (PubChem CID 161433653) has the molecular formula C2H3Cl2NRu and a molecular weight of 213.03 g/mol. Its IUPAC name is acetonitrile;dichlororuthenium.

Molecular Properties

Compound Nameacetonitrile;dichlororuthenium
PubChem CID161433653
Molecular FormulaC2H3Cl2NRu
Molecular Weight213.03 g/mol
Exact Mass212.87
IUPAC Nameacetonitrile;dichlororuthenium
SMILESCC#N.Cl[Ru]Cl
InChIInChI=1S/C2H3N.2ClH.Ru/c1-2-3;;;/h1H3;2*1H;/q;;;+2/p-2
InChIKeyVYIUFNIIDBEMOP-UHFFFAOYSA-L
XLogP1.91
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.03
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of acetonitrile;dichlororuthenium?
The IUPAC name of acetonitrile;dichlororuthenium (CID 161433653) is acetonitrile;dichlororuthenium.
What is the SMILES notation for acetonitrile;dichlororuthenium?
The canonical SMILES for acetonitrile;dichlororuthenium is CC#N.Cl[Ru]Cl.
What is the InChIKey of acetonitrile;dichlororuthenium?
The InChIKey is VYIUFNIIDBEMOP-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H3N.2ClH.Ru/c1-2-3;;;/h1H3;2*1H;/q;;;+2/p-2.
What are the key properties of acetonitrile;dichlororuthenium?
acetonitrile;dichlororuthenium has a molecular weight of 213.03 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;dichlororuthenium is sourced from PubChem (CID 161433653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).