lithium;magnesium;benzonitrile;dichloride

C7H4Cl2LiMgN — CID 54699294

IUPAClithium;magnesium;benzonitrile;dichloride
SMILESN#Cc1cc[c-]cc1.[Cl-].[Cl-].[Li+].[Mg+2]
InChIInChI=1S/C7H4N.2ClH.Li.Mg/c8-6-7-4-2-1-3-5-7;;;;/h2-5H;2*1H;;/q-1;;;+1;+2/p-2
InChIKeyOYBARPYCTARKDU-UHFFFAOYSA-L
MW204.27 g/mol
LogP-8.01
Rot. Bonds

About lithium;magnesium;benzonitrile;dichloride

lithium;magnesium;benzonitrile;dichloride (PubChem CID 54699294) has the molecular formula C7H4Cl2LiMgN and a molecular weight of 204.27 g/mol. Its IUPAC name is lithium;magnesium;benzonitrile;dichloride.

Molecular Properties

Compound Namelithium;magnesium;benzonitrile;dichloride
PubChem CID54699294
Molecular FormulaC7H4Cl2LiMgN
Molecular Weight204.27 g/mol
Exact Mass202.97
IUPAC Namelithium;magnesium;benzonitrile;dichloride
SMILESN#Cc1cc[c-]cc1.[Cl-].[Cl-].[Li+].[Mg+2]
InChIInChI=1S/C7H4N.2ClH.Li.Mg/c8-6-7-4-2-1-3-5-7;;;;/h2-5H;2*1H;;/q-1;;;+1;+2/p-2
InChIKeyOYBARPYCTARKDU-UHFFFAOYSA-L
XLogP-8.01
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-8.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium;magnesium;benzonitrile;dichloride?
The IUPAC name of lithium;magnesium;benzonitrile;dichloride (CID 54699294) is lithium;magnesium;benzonitrile;dichloride.
What is the SMILES notation for lithium;magnesium;benzonitrile;dichloride?
The canonical SMILES for lithium;magnesium;benzonitrile;dichloride is N#Cc1cc[c-]cc1.[Cl-].[Cl-].[Li+].[Mg+2].
What is the InChIKey of lithium;magnesium;benzonitrile;dichloride?
The InChIKey is OYBARPYCTARKDU-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H4N.2ClH.Li.Mg/c8-6-7-4-2-1-3-5-7;;;;/h2-5H;2*1H;;/q-1;;;+1;+2/p-2.
What are the key properties of lithium;magnesium;benzonitrile;dichloride?
lithium;magnesium;benzonitrile;dichloride has a molecular weight of 204.27 g/mol, XLogP of -8.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;magnesium;benzonitrile;dichloride is sourced from PubChem (CID 54699294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).