magnesium;5-chloro-2H-pyridin-2-ide;chloride

C5H3Cl2MgN — CID 59076227

IUPACmagnesium;5-chloro-2H-pyridin-2-ide;chloride
SMILESClc1cc[c-]nc1.[Cl-].[Mg+2]
InChIInChI=1S/C5H3ClN.ClH.Mg/c6-5-2-1-3-7-4-5;;/h1-2,4H;1H;/q-1;;+2/p-1
InChIKeyOGILSVKTNWSTBG-UHFFFAOYSA-M
MW172.30 g/mol
LogP-1.84
Rot. Bonds

About magnesium;5-chloro-2H-pyridin-2-ide;chloride

magnesium;5-chloro-2H-pyridin-2-ide;chloride (PubChem CID 59076227) has the molecular formula C5H3Cl2MgN and a molecular weight of 172.30 g/mol. Its IUPAC name is magnesium;5-chloro-2H-pyridin-2-ide;chloride.

Molecular Properties

Compound Namemagnesium;5-chloro-2H-pyridin-2-ide;chloride
PubChem CID59076227
Molecular FormulaC5H3Cl2MgN
Molecular Weight172.30 g/mol
Exact Mass170.95
IUPAC Namemagnesium;5-chloro-2H-pyridin-2-ide;chloride
SMILESClc1cc[c-]nc1.[Cl-].[Mg+2]
InChIInChI=1S/C5H3ClN.ClH.Mg/c6-5-2-1-3-7-4-5;;/h1-2,4H;1H;/q-1;;+2/p-1
InChIKeyOGILSVKTNWSTBG-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 ≤ 500172.30
LogP ≤ 5-1.84
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;5-chloro-2H-pyridin-2-ide;chloride?
The IUPAC name of magnesium;5-chloro-2H-pyridin-2-ide;chloride (CID 59076227) is magnesium;5-chloro-2H-pyridin-2-ide;chloride.
What is the SMILES notation for magnesium;5-chloro-2H-pyridin-2-ide;chloride?
The canonical SMILES for magnesium;5-chloro-2H-pyridin-2-ide;chloride is Clc1cc[c-]nc1.[Cl-].[Mg+2].
What is the InChIKey of magnesium;5-chloro-2H-pyridin-2-ide;chloride?
The InChIKey is OGILSVKTNWSTBG-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H3ClN.ClH.Mg/c6-5-2-1-3-7-4-5;;/h1-2,4H;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;5-chloro-2H-pyridin-2-ide;chloride?
magnesium;5-chloro-2H-pyridin-2-ide;chloride has a molecular weight of 172.30 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;5-chloro-2H-pyridin-2-ide;chloride is sourced from PubChem (CID 59076227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).