bromozinc(1+);3-methyl-2H-pyridin-2-ide

C6H6BrNZn — CID 54705653

IUPACbromozinc(1+);3-methyl-2H-pyridin-2-ide
SMILESCc1[c-]nccc1.[Zn+]Br
InChIInChI=1S/C6H6N.BrH.Zn/c1-6-3-2-4-7-5-6;;/h2-4H,1H3;1H;/q-1;;+2/p-1
InChIKeyFKFXCROGBLLHFO-UHFFFAOYSA-M
MW237.41 g/mol
LogP2.03
Rot. Bonds

About bromozinc(1+);3-methyl-2H-pyridin-2-ide

bromozinc(1+);3-methyl-2H-pyridin-2-ide (PubChem CID 54705653) has the molecular formula C6H6BrNZn and a molecular weight of 237.41 g/mol. Its IUPAC name is bromozinc(1+);3-methyl-2H-pyridin-2-ide.

Molecular Properties

Compound Namebromozinc(1+);3-methyl-2H-pyridin-2-ide
PubChem CID54705653
Molecular FormulaC6H6BrNZn
Molecular Weight237.41 g/mol
Exact Mass234.90
IUPAC Namebromozinc(1+);3-methyl-2H-pyridin-2-ide
SMILESCc1[c-]nccc1.[Zn+]Br
InChIInChI=1S/C6H6N.BrH.Zn/c1-6-3-2-4-7-5-6;;/h2-4H,1H3;1H;/q-1;;+2/p-1
InChIKeyFKFXCROGBLLHFO-UHFFFAOYSA-M
XLogP2.03
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 ≤ 52.03
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 bromozinc(1+);3-methyl-2H-pyridin-2-ide?
The IUPAC name of bromozinc(1+);3-methyl-2H-pyridin-2-ide (CID 54705653) is bromozinc(1+);3-methyl-2H-pyridin-2-ide.
What is the SMILES notation for bromozinc(1+);3-methyl-2H-pyridin-2-ide?
The canonical SMILES for bromozinc(1+);3-methyl-2H-pyridin-2-ide is Cc1[c-]nccc1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);3-methyl-2H-pyridin-2-ide?
The InChIKey is FKFXCROGBLLHFO-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6N.BrH.Zn/c1-6-3-2-4-7-5-6;;/h2-4H,1H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);3-methyl-2H-pyridin-2-ide?
bromozinc(1+);3-methyl-2H-pyridin-2-ide has a molecular weight of 237.41 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);3-methyl-2H-pyridin-2-ide is sourced from PubChem (CID 54705653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).