magnesium;5,6-difluoro-3H-pyridin-3-ide;bromide

C5H2BrF2MgN — CID 91658428

IUPACmagnesium;5,6-difluoro-3H-pyridin-3-ide;bromide
SMILESFc1c[c-]cnc1F.[Br-].[Mg+2]
InChIInChI=1S/C5H2F2N.BrH.Mg/c6-4-2-1-3-8-5(4)7;;/h2-3H;1H;/q-1;;+2/p-1
InChIKeyZUBNHGJTDKGHOB-UHFFFAOYSA-M
MW218.28 g/mol
LogP-2.22
Rot. Bonds

About magnesium;5,6-difluoro-3H-pyridin-3-ide;bromide

magnesium;5,6-difluoro-3H-pyridin-3-ide;bromide (PubChem CID 91658428) has the molecular formula C5H2BrF2MgN and a molecular weight of 218.28 g/mol. Its IUPAC name is magnesium;5,6-difluoro-3H-pyridin-3-ide;bromide.

Molecular Properties

Compound Namemagnesium;5,6-difluoro-3H-pyridin-3-ide;bromide
PubChem CID91658428
Molecular FormulaC5H2BrF2MgN
Molecular Weight218.28 g/mol
Exact Mass216.92
IUPAC Namemagnesium;5,6-difluoro-3H-pyridin-3-ide;bromide
SMILESFc1c[c-]cnc1F.[Br-].[Mg+2]
InChIInChI=1S/C5H2F2N.BrH.Mg/c6-4-2-1-3-8-5(4)7;;/h2-3H;1H;/q-1;;+2/p-1
InChIKeyZUBNHGJTDKGHOB-UHFFFAOYSA-M
XLogP-2.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-2.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of magnesium;5,6-difluoro-3H-pyridin-3-ide;bromide?
The IUPAC name of magnesium;5,6-difluoro-3H-pyridin-3-ide;bromide (CID 91658428) is magnesium;5,6-difluoro-3H-pyridin-3-ide;bromide.
What is the SMILES notation for magnesium;5,6-difluoro-3H-pyridin-3-ide;bromide?
The canonical SMILES for magnesium;5,6-difluoro-3H-pyridin-3-ide;bromide is Fc1c[c-]cnc1F.[Br-].[Mg+2].
What is the InChIKey of magnesium;5,6-difluoro-3H-pyridin-3-ide;bromide?
The InChIKey is ZUBNHGJTDKGHOB-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H2F2N.BrH.Mg/c6-4-2-1-3-8-5(4)7;;/h2-3H;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;5,6-difluoro-3H-pyridin-3-ide;bromide?
magnesium;5,6-difluoro-3H-pyridin-3-ide;bromide has a molecular weight of 218.28 g/mol, XLogP of -2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;5,6-difluoro-3H-pyridin-3-ide;bromide is sourced from PubChem (CID 91658428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).