magnesium;6-(trifluoromethyl)-3H-pyridin-3-ide;bromide

C6H3BrF3MgN — CID 87081200

IUPACmagnesium;6-(trifluoromethyl)-3H-pyridin-3-ide;bromide
SMILESFC(F)(F)c1cc[c-]cn1.[Br-].[Mg+2]
InChIInChI=1S/C6H3F3N.BrH.Mg/c7-6(8,9)5-3-1-2-4-10-5;;/h1,3-4H;1H;/q-1;;+2/p-1
InChIKeyGRIXRHBNFCNFLJ-UHFFFAOYSA-M
MW250.30 g/mol
LogP-1.48
Rot. Bonds

About magnesium;6-(trifluoromethyl)-3H-pyridin-3-ide;bromide

magnesium;6-(trifluoromethyl)-3H-pyridin-3-ide;bromide (PubChem CID 87081200) has the molecular formula C6H3BrF3MgN and a molecular weight of 250.30 g/mol. Its IUPAC name is magnesium;6-(trifluoromethyl)-3H-pyridin-3-ide;bromide.

Molecular Properties

Compound Namemagnesium;6-(trifluoromethyl)-3H-pyridin-3-ide;bromide
PubChem CID87081200
Molecular FormulaC6H3BrF3MgN
Molecular Weight250.30 g/mol
Exact Mass248.93
IUPAC Namemagnesium;6-(trifluoromethyl)-3H-pyridin-3-ide;bromide
SMILESFC(F)(F)c1cc[c-]cn1.[Br-].[Mg+2]
InChIInChI=1S/C6H3F3N.BrH.Mg/c7-6(8,9)5-3-1-2-4-10-5;;/h1,3-4H;1H;/q-1;;+2/p-1
InChIKeyGRIXRHBNFCNFLJ-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'}

Analyze magnesium;6-(trifluoromethyl)-3H-pyridin-3-ide;bromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of magnesium;6-(trifluoromethyl)-3H-pyridin-3-ide;bromide?
The IUPAC name of magnesium;6-(trifluoromethyl)-3H-pyridin-3-ide;bromide (CID 87081200) is magnesium;6-(trifluoromethyl)-3H-pyridin-3-ide;bromide.
What is the SMILES notation for magnesium;6-(trifluoromethyl)-3H-pyridin-3-ide;bromide?
The canonical SMILES for magnesium;6-(trifluoromethyl)-3H-pyridin-3-ide;bromide is FC(F)(F)c1cc[c-]cn1.[Br-].[Mg+2].
What is the InChIKey of magnesium;6-(trifluoromethyl)-3H-pyridin-3-ide;bromide?
The InChIKey is GRIXRHBNFCNFLJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H3F3N.BrH.Mg/c7-6(8,9)5-3-1-2-4-10-5;;/h1,3-4H;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;6-(trifluoromethyl)-3H-pyridin-3-ide;bromide?
magnesium;6-(trifluoromethyl)-3H-pyridin-3-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;6-(trifluoromethyl)-3H-pyridin-3-ide;bromide is sourced from PubChem (CID 87081200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).