magnesium;6-ethoxy-3H-pyridin-3-ide;bromide

C7H8BrMgNO — CID 91657968

IUPACmagnesium;6-ethoxy-3H-pyridin-3-ide;bromide
SMILESCCOc1cc[c-]cn1.[Br-].[Mg+2]
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
MW226.36 g/mol
LogP-2.10
Rot. Bonds2

About magnesium;6-ethoxy-3H-pyridin-3-ide;bromide

magnesium;6-ethoxy-3H-pyridin-3-ide;bromide (PubChem CID 91657968) has the molecular formula C7H8BrMgNO and a molecular weight of 226.36 g/mol. Its IUPAC name is magnesium;6-ethoxy-3H-pyridin-3-ide;bromide.

Molecular Properties

Compound Namemagnesium;6-ethoxy-3H-pyridin-3-ide;bromide
PubChem CID91657968
Molecular FormulaC7H8BrMgNO
Molecular Weight226.36 g/mol
Exact Mass224.96
IUPAC Namemagnesium;6-ethoxy-3H-pyridin-3-ide;bromide
SMILESCCOc1cc[c-]cn1.[Br-].[Mg+2]
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-2.10
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 5-2.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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;6-ethoxy-3H-pyridin-3-ide;bromide?
The IUPAC name of magnesium;6-ethoxy-3H-pyridin-3-ide;bromide (CID 91657968) is magnesium;6-ethoxy-3H-pyridin-3-ide;bromide.
What is the SMILES notation for magnesium;6-ethoxy-3H-pyridin-3-ide;bromide?
The canonical SMILES for magnesium;6-ethoxy-3H-pyridin-3-ide;bromide is CCOc1cc[c-]cn1.[Br-].[Mg+2].
What is the InChIKey of magnesium;6-ethoxy-3H-pyridin-3-ide;bromide?
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 magnesium;6-ethoxy-3H-pyridin-3-ide;bromide?
magnesium;6-ethoxy-3H-pyridin-3-ide;bromide has a molecular weight of 226.36 g/mol, XLogP of -2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;6-ethoxy-3H-pyridin-3-ide;bromide is sourced from PubChem (CID 91657968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).