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

C5H4BrMgN — CID 11521193

IUPACmagnesium;3H-pyridin-3-ide;bromide
SMILES[Br-].[Mg+2].[c-]1cccnc1
InChIInChI=1S/C5H4N.BrH.Mg/c1-2-4-6-5-3-1;;/h1-2,4-5H;1H;/q-1;;+2/p-1
InChIKeyQUZNVZUTDKEPBJ-UHFFFAOYSA-M
MW182.30 g/mol
LogP-2.50
Rot. Bonds

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

magnesium;3H-pyridin-3-ide;bromide (PubChem CID 11521193) has the molecular formula C5H4BrMgN and a molecular weight of 182.30 g/mol. Its IUPAC name is magnesium;3H-pyridin-3-ide;bromide.

Molecular Properties

Compound Namemagnesium;3H-pyridin-3-ide;bromide
PubChem CID11521193
Molecular FormulaC5H4BrMgN
Molecular Weight182.30 g/mol
Exact Mass180.94
IUPAC Namemagnesium;3H-pyridin-3-ide;bromide
SMILES[Br-].[Mg+2].[c-]1cccnc1
InChIInChI=1S/C5H4N.BrH.Mg/c1-2-4-6-5-3-1;;/h1-2,4-5H;1H;/q-1;;+2/p-1
InChIKeyQUZNVZUTDKEPBJ-UHFFFAOYSA-M
XLogP-2.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.30
LogP ≤ 5-2.50
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;3H-pyridin-3-ide;bromide?
The IUPAC name of magnesium;3H-pyridin-3-ide;bromide (CID 11521193) is magnesium;3H-pyridin-3-ide;bromide.
What is the SMILES notation for magnesium;3H-pyridin-3-ide;bromide?
The canonical SMILES for magnesium;3H-pyridin-3-ide;bromide is [Br-].[Mg+2].[c-]1cccnc1.
What is the InChIKey of magnesium;3H-pyridin-3-ide;bromide?
The InChIKey is QUZNVZUTDKEPBJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H4N.BrH.Mg/c1-2-4-6-5-3-1;;/h1-2,4-5H;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;3H-pyridin-3-ide;bromide?
magnesium;3H-pyridin-3-ide;bromide has a molecular weight of 182.30 g/mol, XLogP of -2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;3H-pyridin-3-ide;bromide is sourced from PubChem (CID 11521193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).