zinc;6-methyl-2H-pyridin-2-ide;bromide

C6H6BrNZn — CID 76530192

IUPACzinc;6-methyl-2H-pyridin-2-ide;bromide
SMILESCc1ccc[c-]n1.[Br-].[Zn+2]
InChIInChI=1S/C6H6N.BrH.Zn/c1-6-4-2-3-5-7-6;;/h2-4H,1H3;1H;/q-1;;+2/p-1
InChIKeyJSTYQZIXEXOPBT-UHFFFAOYSA-M
MW237.41 g/mol
LogP-1.81
Rot. Bonds

About zinc;6-methyl-2H-pyridin-2-ide;bromide

zinc;6-methyl-2H-pyridin-2-ide;bromide (PubChem CID 76530192) has the molecular formula C6H6BrNZn and a molecular weight of 237.41 g/mol. Its IUPAC name is zinc;6-methyl-2H-pyridin-2-ide;bromide.

Molecular Properties

Compound Namezinc;6-methyl-2H-pyridin-2-ide;bromide
PubChem CID76530192
Molecular FormulaC6H6BrNZn
Molecular Weight237.41 g/mol
Exact Mass234.90
IUPAC Namezinc;6-methyl-2H-pyridin-2-ide;bromide
SMILESCc1ccc[c-]n1.[Br-].[Zn+2]
InChIInChI=1S/C6H6N.BrH.Zn/c1-6-4-2-3-5-7-6;;/h2-4H,1H3;1H;/q-1;;+2/p-1
InChIKeyJSTYQZIXEXOPBT-UHFFFAOYSA-M
XLogP-1.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 5-1.81
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'}

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Frequently Asked Questions

What is the IUPAC name of zinc;6-methyl-2H-pyridin-2-ide;bromide?
The IUPAC name of zinc;6-methyl-2H-pyridin-2-ide;bromide (CID 76530192) is zinc;6-methyl-2H-pyridin-2-ide;bromide.
What is the SMILES notation for zinc;6-methyl-2H-pyridin-2-ide;bromide?
The canonical SMILES for zinc;6-methyl-2H-pyridin-2-ide;bromide is Cc1ccc[c-]n1.[Br-].[Zn+2].
What is the InChIKey of zinc;6-methyl-2H-pyridin-2-ide;bromide?
The InChIKey is JSTYQZIXEXOPBT-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6N.BrH.Zn/c1-6-4-2-3-5-7-6;;/h2-4H,1H3;1H;/q-1;;+2/p-1.
What are the key properties of zinc;6-methyl-2H-pyridin-2-ide;bromide?
zinc;6-methyl-2H-pyridin-2-ide;bromide has a molecular weight of 237.41 g/mol, XLogP of -1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;6-methyl-2H-pyridin-2-ide;bromide is sourced from PubChem (CID 76530192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).