2-Ethoxypyridin-5-ylmagnesium bromide, 0.25M in 2-MeTHF

C7H8BrMgNO — CID 91657968

IUPACmagnesium;6-ethoxy-3H-pyridin-3-ide;bromide
SMILESCCOC1=NC=[C-]C=C1.[Mg+2].[Br-]
InChIInChI=1S/C7H8NO.BrH.Mg/c1-2-9-7-5-3-4-6-8-7;;/h3,5-6H,2H2,1H3;1H;/q-1;;+2/p-1
InChIKeyNYWDSMJBEZRJKT-UHFFFAOYSA-M
MW226.35 g/mol
LogP—
Rot. Bonds2

About 2-Ethoxypyridin-5-ylmagnesium bromide, 0.25M in 2-MeTHF

2-Ethoxypyridin-5-ylmagnesium bromide, 0.25M in 2-MeTHF (PubChem CID 91657968) has the molecular formula C7H8BrMgNO and a molecular weight of 226.35 g/mol. Its IUPAC name is magnesium;6-ethoxy-3H-pyridin-3-ide;bromide.

Molecular Properties

Compound Name2-Ethoxypyridin-5-ylmagnesium bromide, 0.25M in 2-MeTHF
PubChem CID91657968
Molecular FormulaC7H8BrMgNO
Molecular Weight226.35 g/mol
Exact Mass224.96
IUPAC Namemagnesium;6-ethoxy-3H-pyridin-3-ide;bromide
SMILESCCOC1=NC=[C-]C=C1.[Mg+2].[Br-]
InChIInChI=1S/C7H8NO.BrH.Mg/c1-2-9-7-5-3-4-6-8-7;;/h3,5-6H,2H2,1H3;1H;/q-1;;+2/p-1
InChIKeyNYWDSMJBEZRJKT-UHFFFAOYSA-M
XLogP—
TPSA21.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity177

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-Ethoxypyridin-5-ylmagnesium bromide, 0.25M in 2-MeTHF?
The IUPAC name of 2-Ethoxypyridin-5-ylmagnesium bromide, 0.25M in 2-MeTHF (CID 91657968) is magnesium;6-ethoxy-3H-pyridin-3-ide;bromide.
What is the SMILES notation for 2-Ethoxypyridin-5-ylmagnesium bromide, 0.25M in 2-MeTHF?
The canonical SMILES for 2-Ethoxypyridin-5-ylmagnesium bromide, 0.25M in 2-MeTHF is CCOC1=NC=[C-]C=C1.[Mg+2].[Br-].
What is the InChIKey of 2-Ethoxypyridin-5-ylmagnesium bromide, 0.25M in 2-MeTHF?
The InChIKey is NYWDSMJBEZRJKT-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8NO.BrH.Mg/c1-2-9-7-5-3-4-6-8-7;;/h3,5-6H,2H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of 2-Ethoxypyridin-5-ylmagnesium bromide, 0.25M in 2-MeTHF?
2-Ethoxypyridin-5-ylmagnesium bromide, 0.25M in 2-MeTHF has a molecular weight of 226.35 g/mol, XLogP of not available, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Ethoxypyridin-5-ylmagnesium bromide, 0.25M in 2-MeTHF is sourced from PubChem (CID 91657968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).