magnesium;2-(trifluoromethyl)-4H-pyridin-4-ide;chloride

C6H3ClF3MgN — CID 146867926

IUPACmagnesium;2-(trifluoromethyl)-4H-pyridin-4-ide;chloride
SMILESFC(F)(F)c1c[c-]ccn1.[Cl-].[Mg+2]
InChIInChI=1S/C6H3F3N.ClH.Mg/c7-6(8,9)5-3-1-2-4-10-5;;/h2-4H;1H;/q-1;;+2/p-1
InChIKeyRAWVUKXHKKLEDQ-UHFFFAOYSA-M
MW205.85 g/mol
LogP-1.48
Rot. Bonds

About magnesium;2-(trifluoromethyl)-4H-pyridin-4-ide;chloride

magnesium;2-(trifluoromethyl)-4H-pyridin-4-ide;chloride (PubChem CID 146867926) has the molecular formula C6H3ClF3MgN and a molecular weight of 205.85 g/mol. Its IUPAC name is magnesium;2-(trifluoromethyl)-4H-pyridin-4-ide;chloride.

Molecular Properties

Compound Namemagnesium;2-(trifluoromethyl)-4H-pyridin-4-ide;chloride
PubChem CID146867926
Molecular FormulaC6H3ClF3MgN
Molecular Weight205.85 g/mol
Exact Mass204.98
IUPAC Namemagnesium;2-(trifluoromethyl)-4H-pyridin-4-ide;chloride
SMILESFC(F)(F)c1c[c-]ccn1.[Cl-].[Mg+2]
InChIInChI=1S/C6H3F3N.ClH.Mg/c7-6(8,9)5-3-1-2-4-10-5;;/h2-4H;1H;/q-1;;+2/p-1
InChIKeyRAWVUKXHKKLEDQ-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 ≤ 500205.85
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;2-(trifluoromethyl)-4H-pyridin-4-ide;chloride?
The IUPAC name of magnesium;2-(trifluoromethyl)-4H-pyridin-4-ide;chloride (CID 146867926) is magnesium;2-(trifluoromethyl)-4H-pyridin-4-ide;chloride.
What is the SMILES notation for magnesium;2-(trifluoromethyl)-4H-pyridin-4-ide;chloride?
The canonical SMILES for magnesium;2-(trifluoromethyl)-4H-pyridin-4-ide;chloride is FC(F)(F)c1c[c-]ccn1.[Cl-].[Mg+2].
What is the InChIKey of magnesium;2-(trifluoromethyl)-4H-pyridin-4-ide;chloride?
The InChIKey is RAWVUKXHKKLEDQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H3F3N.ClH.Mg/c7-6(8,9)5-3-1-2-4-10-5;;/h2-4H;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;2-(trifluoromethyl)-4H-pyridin-4-ide;chloride?
magnesium;2-(trifluoromethyl)-4H-pyridin-4-ide;chloride has a molecular weight of 205.85 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;2-(trifluoromethyl)-4H-pyridin-4-ide;chloride is sourced from PubChem (CID 146867926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).