benzonitrile;bromozinc(1+)

C7H4BrNZn — CID 5073750

IUPACbenzonitrile;bromozinc(1+)
SMILESN#Cc1cc[c-]cc1.[Zn+]Br
InChIInChI=1S/C7H4N.BrH.Zn/c8-6-7-4-2-1-3-5-7;;/h2-5H;1H;/q-1;;+2/p-1
InChIKeyHEOMKTNNZDZMJZ-UHFFFAOYSA-M
MW247.41 g/mol
LogP2.20
Rot. Bonds

About benzonitrile;bromozinc(1+)

benzonitrile;bromozinc(1+) (PubChem CID 5073750) has the molecular formula C7H4BrNZn and a molecular weight of 247.41 g/mol. Its IUPAC name is benzonitrile;bromozinc(1+).

Molecular Properties

Compound Namebenzonitrile;bromozinc(1+)
PubChem CID5073750
Molecular FormulaC7H4BrNZn
Molecular Weight247.41 g/mol
Exact Mass244.88
IUPAC Namebenzonitrile;bromozinc(1+)
SMILESN#Cc1cc[c-]cc1.[Zn+]Br
InChIInChI=1S/C7H4N.BrH.Zn/c8-6-7-4-2-1-3-5-7;;/h2-5H;1H;/q-1;;+2/p-1
InChIKeyHEOMKTNNZDZMJZ-UHFFFAOYSA-M
XLogP2.20
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze benzonitrile;bromozinc(1+) 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 benzonitrile;bromozinc(1+)?
The IUPAC name of benzonitrile;bromozinc(1+) (CID 5073750) is benzonitrile;bromozinc(1+).
What is the SMILES notation for benzonitrile;bromozinc(1+)?
The canonical SMILES for benzonitrile;bromozinc(1+) is N#Cc1cc[c-]cc1.[Zn+]Br.
What is the InChIKey of benzonitrile;bromozinc(1+)?
The InChIKey is HEOMKTNNZDZMJZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H4N.BrH.Zn/c8-6-7-4-2-1-3-5-7;;/h2-5H;1H;/q-1;;+2/p-1.
What are the key properties of benzonitrile;bromozinc(1+)?
benzonitrile;bromozinc(1+) has a molecular weight of 247.41 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzonitrile;bromozinc(1+) is sourced from PubChem (CID 5073750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).