lithium;magnesium;6-chloro-3H-pyridin-3-ide;dichloride

C5H3Cl3LiMgN — CID 134857320

IUPAClithium;magnesium;6-chloro-3H-pyridin-3-ide;dichloride
SMILESClc1cc[c-]cn1.[Cl-].[Cl-].[Li+].[Mg+2]
InChIInChI=1S/C5H3ClN.2ClH.Li.Mg/c6-5-3-1-2-4-7-5;;;;/h1,3-4H;2*1H;;/q-1;;;+1;+2/p-2
InChIKeyVAXNEHYMQFDFFA-UHFFFAOYSA-L
MW214.69 g/mol
LogP-7.83
Rot. Bonds

About lithium;magnesium;6-chloro-3H-pyridin-3-ide;dichloride

lithium;magnesium;6-chloro-3H-pyridin-3-ide;dichloride (PubChem CID 134857320) has the molecular formula C5H3Cl3LiMgN and a molecular weight of 214.69 g/mol. Its IUPAC name is lithium;magnesium;6-chloro-3H-pyridin-3-ide;dichloride.

Molecular Properties

Compound Namelithium;magnesium;6-chloro-3H-pyridin-3-ide;dichloride
PubChem CID134857320
Molecular FormulaC5H3Cl3LiMgN
Molecular Weight214.69 g/mol
Exact Mass212.93
IUPAC Namelithium;magnesium;6-chloro-3H-pyridin-3-ide;dichloride
SMILESClc1cc[c-]cn1.[Cl-].[Cl-].[Li+].[Mg+2]
InChIInChI=1S/C5H3ClN.2ClH.Li.Mg/c6-5-3-1-2-4-7-5;;;;/h1,3-4H;2*1H;;/q-1;;;+1;+2/p-2
InChIKeyVAXNEHYMQFDFFA-UHFFFAOYSA-L
XLogP-7.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 5-7.83
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'}

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Frequently Asked Questions

What is the IUPAC name of lithium;magnesium;6-chloro-3H-pyridin-3-ide;dichloride?
The IUPAC name of lithium;magnesium;6-chloro-3H-pyridin-3-ide;dichloride (CID 134857320) is lithium;magnesium;6-chloro-3H-pyridin-3-ide;dichloride.
What is the SMILES notation for lithium;magnesium;6-chloro-3H-pyridin-3-ide;dichloride?
The canonical SMILES for lithium;magnesium;6-chloro-3H-pyridin-3-ide;dichloride is Clc1cc[c-]cn1.[Cl-].[Cl-].[Li+].[Mg+2].
What is the InChIKey of lithium;magnesium;6-chloro-3H-pyridin-3-ide;dichloride?
The InChIKey is VAXNEHYMQFDFFA-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H3ClN.2ClH.Li.Mg/c6-5-3-1-2-4-7-5;;;;/h1,3-4H;2*1H;;/q-1;;;+1;+2/p-2.
What are the key properties of lithium;magnesium;6-chloro-3H-pyridin-3-ide;dichloride?
lithium;magnesium;6-chloro-3H-pyridin-3-ide;dichloride has a molecular weight of 214.69 g/mol, XLogP of -7.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;magnesium;6-chloro-3H-pyridin-3-ide;dichloride is sourced from PubChem (CID 134857320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).