magnesium;3-(trifluoromethyl)-2H-pyridin-2-ide;bromide

C6H3BrF3MgN — CID 133142295

IUPACmagnesium;3-(trifluoromethyl)-2H-pyridin-2-ide;bromide
SMILESFC(F)(F)c1[c-]nccc1.[Br-].[Mg+2]
InChIInChI=1S/C6H3F3N.BrH.Mg/c7-6(8,9)5-2-1-3-10-4-5;;/h1-3H;1H;/q-1;;+2/p-1
InChIKeyCVEOFWHUGPHDBO-UHFFFAOYSA-M
MW250.30 g/mol
LogP-1.48
Rot. Bonds

About magnesium;3-(trifluoromethyl)-2H-pyridin-2-ide;bromide

magnesium;3-(trifluoromethyl)-2H-pyridin-2-ide;bromide (PubChem CID 133142295) has the molecular formula C6H3BrF3MgN and a molecular weight of 250.30 g/mol. Its IUPAC name is magnesium;3-(trifluoromethyl)-2H-pyridin-2-ide;bromide.

Molecular Properties

Compound Namemagnesium;3-(trifluoromethyl)-2H-pyridin-2-ide;bromide
PubChem CID133142295
Molecular FormulaC6H3BrF3MgN
Molecular Weight250.30 g/mol
Exact Mass248.93
IUPAC Namemagnesium;3-(trifluoromethyl)-2H-pyridin-2-ide;bromide
SMILESFC(F)(F)c1[c-]nccc1.[Br-].[Mg+2]
InChIInChI=1S/C6H3F3N.BrH.Mg/c7-6(8,9)5-2-1-3-10-4-5;;/h1-3H;1H;/q-1;;+2/p-1
InChIKeyCVEOFWHUGPHDBO-UHFFFAOYSA-M
XLogP-1.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-1.48
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;3-(trifluoromethyl)-2H-pyridin-2-ide;bromide?
The IUPAC name of magnesium;3-(trifluoromethyl)-2H-pyridin-2-ide;bromide (CID 133142295) is magnesium;3-(trifluoromethyl)-2H-pyridin-2-ide;bromide.
What is the SMILES notation for magnesium;3-(trifluoromethyl)-2H-pyridin-2-ide;bromide?
The canonical SMILES for magnesium;3-(trifluoromethyl)-2H-pyridin-2-ide;bromide is FC(F)(F)c1[c-]nccc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;3-(trifluoromethyl)-2H-pyridin-2-ide;bromide?
The InChIKey is CVEOFWHUGPHDBO-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H3F3N.BrH.Mg/c7-6(8,9)5-2-1-3-10-4-5;;/h1-3H;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;3-(trifluoromethyl)-2H-pyridin-2-ide;bromide?
magnesium;3-(trifluoromethyl)-2H-pyridin-2-ide;bromide has a molecular weight of 250.30 g/mol, XLogP of -1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;3-(trifluoromethyl)-2H-pyridin-2-ide;bromide is sourced from PubChem (CID 133142295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).