bromozinc(1+);5-fluoro-6-methyl-2H-pyridin-2-ide

C6H5BrFNZn — CID 133144581

IUPACbromozinc(1+);5-fluoro-6-methyl-2H-pyridin-2-ide
SMILESCc1n[c-]ccc1F.[Zn+]Br
InChIInChI=1S/C6H5FN.BrH.Zn/c1-5-6(7)3-2-4-8-5;;/h2-3H,1H3;1H;/q-1;;+2/p-1
InChIKeyXWLAJAADJCKLQE-UHFFFAOYSA-M
MW255.40 g/mol
LogP2.17
Rot. Bonds

About bromozinc(1+);5-fluoro-6-methyl-2H-pyridin-2-ide

bromozinc(1+);5-fluoro-6-methyl-2H-pyridin-2-ide (PubChem CID 133144581) has the molecular formula C6H5BrFNZn and a molecular weight of 255.40 g/mol. Its IUPAC name is bromozinc(1+);5-fluoro-6-methyl-2H-pyridin-2-ide.

Molecular Properties

Compound Namebromozinc(1+);5-fluoro-6-methyl-2H-pyridin-2-ide
PubChem CID133144581
Molecular FormulaC6H5BrFNZn
Molecular Weight255.40 g/mol
Exact Mass252.89
IUPAC Namebromozinc(1+);5-fluoro-6-methyl-2H-pyridin-2-ide
SMILESCc1n[c-]ccc1F.[Zn+]Br
InChIInChI=1S/C6H5FN.BrH.Zn/c1-5-6(7)3-2-4-8-5;;/h2-3H,1H3;1H;/q-1;;+2/p-1
InChIKeyXWLAJAADJCKLQE-UHFFFAOYSA-M
XLogP2.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.17
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+);5-fluoro-6-methyl-2H-pyridin-2-ide?
The IUPAC name of bromozinc(1+);5-fluoro-6-methyl-2H-pyridin-2-ide (CID 133144581) is bromozinc(1+);5-fluoro-6-methyl-2H-pyridin-2-ide.
What is the SMILES notation for bromozinc(1+);5-fluoro-6-methyl-2H-pyridin-2-ide?
The canonical SMILES for bromozinc(1+);5-fluoro-6-methyl-2H-pyridin-2-ide is Cc1n[c-]ccc1F.[Zn+]Br.
What is the InChIKey of bromozinc(1+);5-fluoro-6-methyl-2H-pyridin-2-ide?
The InChIKey is XWLAJAADJCKLQE-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5FN.BrH.Zn/c1-5-6(7)3-2-4-8-5;;/h2-3H,1H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);5-fluoro-6-methyl-2H-pyridin-2-ide?
bromozinc(1+);5-fluoro-6-methyl-2H-pyridin-2-ide has a molecular weight of 255.40 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);5-fluoro-6-methyl-2H-pyridin-2-ide is sourced from PubChem (CID 133144581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).