magnesium;2-methyl-3H-pyridin-3-ide;bromide

C6H6BrMgN — CID 91655526

IUPACmagnesium;2-methyl-3H-pyridin-3-ide;bromide
SMILESCc1[c-]cccn1.[Br-].[Mg+2]
InChIInChI=1S/C6H6N.BrH.Mg/c1-6-4-2-3-5-7-6;;/h2-3,5H,1H3;1H;/q-1;;+2/p-1
InChIKeyCZEGIEYYAQJHFU-UHFFFAOYSA-M
MW196.33 g/mol
LogP-2.19
Rot. Bonds

About magnesium;2-methyl-3H-pyridin-3-ide;bromide

magnesium;2-methyl-3H-pyridin-3-ide;bromide (PubChem CID 91655526) has the molecular formula C6H6BrMgN and a molecular weight of 196.33 g/mol. Its IUPAC name is magnesium;2-methyl-3H-pyridin-3-ide;bromide.

Molecular Properties

Compound Namemagnesium;2-methyl-3H-pyridin-3-ide;bromide
PubChem CID91655526
Molecular FormulaC6H6BrMgN
Molecular Weight196.33 g/mol
Exact Mass194.95
IUPAC Namemagnesium;2-methyl-3H-pyridin-3-ide;bromide
SMILESCc1[c-]cccn1.[Br-].[Mg+2]
InChIInChI=1S/C6H6N.BrH.Mg/c1-6-4-2-3-5-7-6;;/h2-3,5H,1H3;1H;/q-1;;+2/p-1
InChIKeyCZEGIEYYAQJHFU-UHFFFAOYSA-M
XLogP-2.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 5-2.19
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-methyl-3H-pyridin-3-ide;bromide?
The IUPAC name of magnesium;2-methyl-3H-pyridin-3-ide;bromide (CID 91655526) is magnesium;2-methyl-3H-pyridin-3-ide;bromide.
What is the SMILES notation for magnesium;2-methyl-3H-pyridin-3-ide;bromide?
The canonical SMILES for magnesium;2-methyl-3H-pyridin-3-ide;bromide is Cc1[c-]cccn1.[Br-].[Mg+2].
What is the InChIKey of magnesium;2-methyl-3H-pyridin-3-ide;bromide?
The InChIKey is CZEGIEYYAQJHFU-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6N.BrH.Mg/c1-6-4-2-3-5-7-6;;/h2-3,5H,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;2-methyl-3H-pyridin-3-ide;bromide?
magnesium;2-methyl-3H-pyridin-3-ide;bromide has a molecular weight of 196.33 g/mol, XLogP of -2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-methyl-3H-pyridin-3-ide;bromide is sourced from PubChem (CID 91655526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).