magnesium;5-(1,1-difluoroethyl)-2H-pyridin-2-ide;chloride

C7H6ClF2MgN — CID 140876185

IUPACmagnesium;5-(1,1-difluoroethyl)-2H-pyridin-2-ide;chloride
SMILESCC(F)(F)c1cc[c-]nc1.[Cl-].[Mg+2]
InChIInChI=1S/C7H6F2N.ClH.Mg/c1-7(8,9)6-3-2-4-10-5-6;;/h2-3,5H,1H3;1H;/q-1;;+2/p-1
InChIKeyBMJMADWCTUHAEG-UHFFFAOYSA-M
MW201.89 g/mol
LogP-1.38
Rot. Bonds1

About magnesium;5-(1,1-difluoroethyl)-2H-pyridin-2-ide;chloride

magnesium;5-(1,1-difluoroethyl)-2H-pyridin-2-ide;chloride (PubChem CID 140876185) has the molecular formula C7H6ClF2MgN and a molecular weight of 201.89 g/mol. Its IUPAC name is magnesium;5-(1,1-difluoroethyl)-2H-pyridin-2-ide;chloride.

Molecular Properties

Compound Namemagnesium;5-(1,1-difluoroethyl)-2H-pyridin-2-ide;chloride
PubChem CID140876185
Molecular FormulaC7H6ClF2MgN
Molecular Weight201.89 g/mol
Exact Mass201.00
IUPAC Namemagnesium;5-(1,1-difluoroethyl)-2H-pyridin-2-ide;chloride
SMILESCC(F)(F)c1cc[c-]nc1.[Cl-].[Mg+2]
InChIInChI=1S/C7H6F2N.ClH.Mg/c1-7(8,9)6-3-2-4-10-5-6;;/h2-3,5H,1H3;1H;/q-1;;+2/p-1
InChIKeyBMJMADWCTUHAEG-UHFFFAOYSA-M
XLogP-1.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.89
LogP ≤ 5-1.38
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-(1,1-difluoroethyl)-2H-pyridin-2-ide;chloride?
The IUPAC name of magnesium;5-(1,1-difluoroethyl)-2H-pyridin-2-ide;chloride (CID 140876185) is magnesium;5-(1,1-difluoroethyl)-2H-pyridin-2-ide;chloride.
What is the SMILES notation for magnesium;5-(1,1-difluoroethyl)-2H-pyridin-2-ide;chloride?
The canonical SMILES for magnesium;5-(1,1-difluoroethyl)-2H-pyridin-2-ide;chloride is CC(F)(F)c1cc[c-]nc1.[Cl-].[Mg+2].
What is the InChIKey of magnesium;5-(1,1-difluoroethyl)-2H-pyridin-2-ide;chloride?
The InChIKey is BMJMADWCTUHAEG-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6F2N.ClH.Mg/c1-7(8,9)6-3-2-4-10-5-6;;/h2-3,5H,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;5-(1,1-difluoroethyl)-2H-pyridin-2-ide;chloride?
magnesium;5-(1,1-difluoroethyl)-2H-pyridin-2-ide;chloride has a molecular weight of 201.89 g/mol, XLogP of -1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;5-(1,1-difluoroethyl)-2H-pyridin-2-ide;chloride is sourced from PubChem (CID 140876185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).