magnesium;6-chloro-3H-pyridin-3-ide;iodide

C5H3ClIMgN — CID 58823826

IUPACmagnesium;6-chloro-3H-pyridin-3-ide;iodide
SMILESClc1cc[c-]cn1.[I-].[Mg+2]
InChIInChI=1S/C5H3ClN.HI.Mg/c6-5-3-1-2-4-7-5;;/h1,3-4H;1H;/q-1;;+2/p-1
InChIKeyKBXFXEWRHOTCFS-UHFFFAOYSA-M
MW263.75 g/mol
LogP-1.84
Rot. Bonds

About magnesium;6-chloro-3H-pyridin-3-ide;iodide

magnesium;6-chloro-3H-pyridin-3-ide;iodide (PubChem CID 58823826) has the molecular formula C5H3ClIMgN and a molecular weight of 263.75 g/mol. Its IUPAC name is magnesium;6-chloro-3H-pyridin-3-ide;iodide.

Molecular Properties

Compound Namemagnesium;6-chloro-3H-pyridin-3-ide;iodide
PubChem CID58823826
Molecular FormulaC5H3ClIMgN
Molecular Weight263.75 g/mol
Exact Mass262.88
IUPAC Namemagnesium;6-chloro-3H-pyridin-3-ide;iodide
SMILESClc1cc[c-]cn1.[I-].[Mg+2]
InChIInChI=1S/C5H3ClN.HI.Mg/c6-5-3-1-2-4-7-5;;/h1,3-4H;1H;/q-1;;+2/p-1
InChIKeyKBXFXEWRHOTCFS-UHFFFAOYSA-M
XLogP-1.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 5-1.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of magnesium;6-chloro-3H-pyridin-3-ide;iodide?
The IUPAC name of magnesium;6-chloro-3H-pyridin-3-ide;iodide (CID 58823826) is magnesium;6-chloro-3H-pyridin-3-ide;iodide.
What is the SMILES notation for magnesium;6-chloro-3H-pyridin-3-ide;iodide?
The canonical SMILES for magnesium;6-chloro-3H-pyridin-3-ide;iodide is Clc1cc[c-]cn1.[I-].[Mg+2].
What is the InChIKey of magnesium;6-chloro-3H-pyridin-3-ide;iodide?
The InChIKey is KBXFXEWRHOTCFS-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H3ClN.HI.Mg/c6-5-3-1-2-4-7-5;;/h1,3-4H;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;6-chloro-3H-pyridin-3-ide;iodide?
magnesium;6-chloro-3H-pyridin-3-ide;iodide has a molecular weight of 263.75 g/mol, XLogP of -1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;6-chloro-3H-pyridin-3-ide;iodide is sourced from PubChem (CID 58823826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).