magnesium;5-fluoro-3H-pyridin-3-ide;bromide

C5H3BrFMgN — CID 91656765

IUPACmagnesium;5-fluoro-3H-pyridin-3-ide;bromide
SMILESFc1c[c-]cnc1.[Br-].[Mg+2]
InChIInChI=1S/C5H3FN.BrH.Mg/c6-5-2-1-3-7-4-5;;/h2-4H;1H;/q-1;;+2/p-1
InChIKeyIZHDSRMJYXSKAR-UHFFFAOYSA-M
MW200.29 g/mol
LogP-2.36
Rot. Bonds

About magnesium;5-fluoro-3H-pyridin-3-ide;bromide

magnesium;5-fluoro-3H-pyridin-3-ide;bromide (PubChem CID 91656765) has the molecular formula C5H3BrFMgN and a molecular weight of 200.29 g/mol. Its IUPAC name is magnesium;5-fluoro-3H-pyridin-3-ide;bromide.

Molecular Properties

Compound Namemagnesium;5-fluoro-3H-pyridin-3-ide;bromide
PubChem CID91656765
Molecular FormulaC5H3BrFMgN
Molecular Weight200.29 g/mol
Exact Mass198.93
IUPAC Namemagnesium;5-fluoro-3H-pyridin-3-ide;bromide
SMILESFc1c[c-]cnc1.[Br-].[Mg+2]
InChIInChI=1S/C5H3FN.BrH.Mg/c6-5-2-1-3-7-4-5;;/h2-4H;1H;/q-1;;+2/p-1
InChIKeyIZHDSRMJYXSKAR-UHFFFAOYSA-M
XLogP-2.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-2.36
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 magnesium;5-fluoro-3H-pyridin-3-ide;bromide?
The IUPAC name of magnesium;5-fluoro-3H-pyridin-3-ide;bromide (CID 91656765) is magnesium;5-fluoro-3H-pyridin-3-ide;bromide.
What is the SMILES notation for magnesium;5-fluoro-3H-pyridin-3-ide;bromide?
The canonical SMILES for magnesium;5-fluoro-3H-pyridin-3-ide;bromide is Fc1c[c-]cnc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;5-fluoro-3H-pyridin-3-ide;bromide?
The InChIKey is IZHDSRMJYXSKAR-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H3FN.BrH.Mg/c6-5-2-1-3-7-4-5;;/h2-4H;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;5-fluoro-3H-pyridin-3-ide;bromide?
magnesium;5-fluoro-3H-pyridin-3-ide;bromide has a molecular weight of 200.29 g/mol, XLogP of -2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;5-fluoro-3H-pyridin-3-ide;bromide is sourced from PubChem (CID 91656765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).