magnesium;2-methyl-2-(3H-pyridin-3-id-6-yl)propanenitrile;chloride

C9H9ClMgN2 — CID 151194242

IUPACmagnesium;2-methyl-2-(3H-pyridin-3-id-6-yl)propanenitrile;chloride
SMILESCC(C)(C#N)c1cc[c-]cn1.[Cl-].[Mg+2]
InChIInChI=1S/C9H9N2.ClH.Mg/c1-9(2,7-10)8-5-3-4-6-11-8;;/h3,5-6H,1-2H3;1H;/q-1;;+2/p-1
InChIKeySMHRUMWFPGZIHJ-UHFFFAOYSA-M
MW204.94 g/mol
LogP-1.69
Rot. Bonds1

About magnesium;2-methyl-2-(3H-pyridin-3-id-6-yl)propanenitrile;chloride

magnesium;2-methyl-2-(3H-pyridin-3-id-6-yl)propanenitrile;chloride (PubChem CID 151194242) has the molecular formula C9H9ClMgN2 and a molecular weight of 204.94 g/mol. Its IUPAC name is magnesium;2-methyl-2-(3H-pyridin-3-id-6-yl)propanenitrile;chloride.

Molecular Properties

Compound Namemagnesium;2-methyl-2-(3H-pyridin-3-id-6-yl)propanenitrile;chloride
PubChem CID151194242
Molecular FormulaC9H9ClMgN2
Molecular Weight204.94 g/mol
Exact Mass204.03
IUPAC Namemagnesium;2-methyl-2-(3H-pyridin-3-id-6-yl)propanenitrile;chloride
SMILESCC(C)(C#N)c1cc[c-]cn1.[Cl-].[Mg+2]
InChIInChI=1S/C9H9N2.ClH.Mg/c1-9(2,7-10)8-5-3-4-6-11-8;;/h3,5-6H,1-2H3;1H;/q-1;;+2/p-1
InChIKeySMHRUMWFPGZIHJ-UHFFFAOYSA-M
XLogP-1.69
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.94
LogP ≤ 5-1.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-2-(3H-pyridin-3-id-6-yl)propanenitrile;chloride?
The IUPAC name of magnesium;2-methyl-2-(3H-pyridin-3-id-6-yl)propanenitrile;chloride (CID 151194242) is magnesium;2-methyl-2-(3H-pyridin-3-id-6-yl)propanenitrile;chloride.
What is the SMILES notation for magnesium;2-methyl-2-(3H-pyridin-3-id-6-yl)propanenitrile;chloride?
The canonical SMILES for magnesium;2-methyl-2-(3H-pyridin-3-id-6-yl)propanenitrile;chloride is CC(C)(C#N)c1cc[c-]cn1.[Cl-].[Mg+2].
What is the InChIKey of magnesium;2-methyl-2-(3H-pyridin-3-id-6-yl)propanenitrile;chloride?
The InChIKey is SMHRUMWFPGZIHJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H9N2.ClH.Mg/c1-9(2,7-10)8-5-3-4-6-11-8;;/h3,5-6H,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;2-methyl-2-(3H-pyridin-3-id-6-yl)propanenitrile;chloride?
magnesium;2-methyl-2-(3H-pyridin-3-id-6-yl)propanenitrile;chloride has a molecular weight of 204.94 g/mol, XLogP of -1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-methyl-2-(3H-pyridin-3-id-6-yl)propanenitrile;chloride is sourced from PubChem (CID 151194242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).