magnesium;3H-pyridin-3-ide;chloride

C5H4ClMgN — CID 11378525

IUPACmagnesium;3H-pyridin-3-ide;chloride
SMILES[Cl-].[Mg+2].[c-]1cccnc1
InChIInChI=1S/C5H4N.ClH.Mg/c1-2-4-6-5-3-1;;/h1-2,4-5H;1H;/q-1;;+2/p-1
InChIKeyNPAJZEOSNIPCPO-UHFFFAOYSA-M
MW137.85 g/mol
LogP-2.50
Rot. Bonds

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

magnesium;3H-pyridin-3-ide;chloride (PubChem CID 11378525) has the molecular formula C5H4ClMgN and a molecular weight of 137.85 g/mol. Its IUPAC name is magnesium;3H-pyridin-3-ide;chloride.

Molecular Properties

Compound Namemagnesium;3H-pyridin-3-ide;chloride
PubChem CID11378525
Molecular FormulaC5H4ClMgN
Molecular Weight137.85 g/mol
Exact Mass136.99
IUPAC Namemagnesium;3H-pyridin-3-ide;chloride
SMILES[Cl-].[Mg+2].[c-]1cccnc1
InChIInChI=1S/C5H4N.ClH.Mg/c1-2-4-6-5-3-1;;/h1-2,4-5H;1H;/q-1;;+2/p-1
InChIKeyNPAJZEOSNIPCPO-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 ≤ 500137.85
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;chloride?
The IUPAC name of magnesium;3H-pyridin-3-ide;chloride (CID 11378525) is magnesium;3H-pyridin-3-ide;chloride.
What is the SMILES notation for magnesium;3H-pyridin-3-ide;chloride?
The canonical SMILES for magnesium;3H-pyridin-3-ide;chloride is [Cl-].[Mg+2].[c-]1cccnc1.
What is the InChIKey of magnesium;3H-pyridin-3-ide;chloride?
The InChIKey is NPAJZEOSNIPCPO-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H4N.ClH.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;chloride?
magnesium;3H-pyridin-3-ide;chloride has a molecular weight of 137.85 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;chloride is sourced from PubChem (CID 11378525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).