zinc;acetonitrile;dichloride

C2H3Cl2NZn — CID 159619691

IUPACzinc;acetonitrile;dichloride
SMILESCC#N.[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/C2H3N.2ClH.Zn/c1-2-3;;;/h1H3;2*1H;/q;;;+2/p-2
InChIKeyMNSSAHCVNCOFHY-UHFFFAOYSA-L
MW177.35 g/mol
LogP-5.46
Rot. Bonds

About zinc;acetonitrile;dichloride

zinc;acetonitrile;dichloride (PubChem CID 159619691) has the molecular formula C2H3Cl2NZn and a molecular weight of 177.35 g/mol. Its IUPAC name is zinc;acetonitrile;dichloride.

Molecular Properties

Compound Namezinc;acetonitrile;dichloride
PubChem CID159619691
Molecular FormulaC2H3Cl2NZn
Molecular Weight177.35 g/mol
Exact Mass174.89
IUPAC Namezinc;acetonitrile;dichloride
SMILESCC#N.[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/C2H3N.2ClH.Zn/c1-2-3;;;/h1H3;2*1H;/q;;;+2/p-2
InChIKeyMNSSAHCVNCOFHY-UHFFFAOYSA-L
XLogP-5.46
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.35
LogP ≤ 5-5.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze zinc;acetonitrile;dichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of zinc;acetonitrile;dichloride?
The IUPAC name of zinc;acetonitrile;dichloride (CID 159619691) is zinc;acetonitrile;dichloride.
What is the SMILES notation for zinc;acetonitrile;dichloride?
The canonical SMILES for zinc;acetonitrile;dichloride is CC#N.[Cl-].[Cl-].[Zn+2].
What is the InChIKey of zinc;acetonitrile;dichloride?
The InChIKey is MNSSAHCVNCOFHY-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H3N.2ClH.Zn/c1-2-3;;;/h1H3;2*1H;/q;;;+2/p-2.
What are the key properties of zinc;acetonitrile;dichloride?
zinc;acetonitrile;dichloride has a molecular weight of 177.35 g/mol, XLogP of -5.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;acetonitrile;dichloride is sourced from PubChem (CID 159619691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).