magnesium;N,N,4-trimethyl-3H-pyridin-3-id-6-amine;bromide

C8H11BrMgN2 — CID 22249050

IUPACmagnesium;N,N,4-trimethyl-3H-pyridin-3-id-6-amine;bromide
SMILESCc1[c-]cnc(N(C)C)c1.[Br-].[Mg+2]
InChIInChI=1S/C8H11N2.BrH.Mg/c1-7-4-5-9-8(6-7)10(2)3;;/h5-6H,1-3H3;1H;/q-1;;+2/p-1
InChIKeyBETGXFWHRKZGQS-UHFFFAOYSA-M
MW239.40 g/mol
LogP-2.12
Rot. Bonds1

About magnesium;N,N,4-trimethyl-3H-pyridin-3-id-6-amine;bromide

magnesium;N,N,4-trimethyl-3H-pyridin-3-id-6-amine;bromide (PubChem CID 22249050) has the molecular formula C8H11BrMgN2 and a molecular weight of 239.40 g/mol. Its IUPAC name is magnesium;N,N,4-trimethyl-3H-pyridin-3-id-6-amine;bromide.

Molecular Properties

Compound Namemagnesium;N,N,4-trimethyl-3H-pyridin-3-id-6-amine;bromide
PubChem CID22249050
Molecular FormulaC8H11BrMgN2
Molecular Weight239.40 g/mol
Exact Mass238.00
IUPAC Namemagnesium;N,N,4-trimethyl-3H-pyridin-3-id-6-amine;bromide
SMILESCc1[c-]cnc(N(C)C)c1.[Br-].[Mg+2]
InChIInChI=1S/C8H11N2.BrH.Mg/c1-7-4-5-9-8(6-7)10(2)3;;/h5-6H,1-3H3;1H;/q-1;;+2/p-1
InChIKeyBETGXFWHRKZGQS-UHFFFAOYSA-M
XLogP-2.12
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 5-2.12
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;N,N,4-trimethyl-3H-pyridin-3-id-6-amine;bromide?
The IUPAC name of magnesium;N,N,4-trimethyl-3H-pyridin-3-id-6-amine;bromide (CID 22249050) is magnesium;N,N,4-trimethyl-3H-pyridin-3-id-6-amine;bromide.
What is the SMILES notation for magnesium;N,N,4-trimethyl-3H-pyridin-3-id-6-amine;bromide?
The canonical SMILES for magnesium;N,N,4-trimethyl-3H-pyridin-3-id-6-amine;bromide is Cc1[c-]cnc(N(C)C)c1.[Br-].[Mg+2].
What is the InChIKey of magnesium;N,N,4-trimethyl-3H-pyridin-3-id-6-amine;bromide?
The InChIKey is BETGXFWHRKZGQS-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H11N2.BrH.Mg/c1-7-4-5-9-8(6-7)10(2)3;;/h5-6H,1-3H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;N,N,4-trimethyl-3H-pyridin-3-id-6-amine;bromide?
magnesium;N,N,4-trimethyl-3H-pyridin-3-id-6-amine;bromide has a molecular weight of 239.40 g/mol, XLogP of -2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;N,N,4-trimethyl-3H-pyridin-3-id-6-amine;bromide is sourced from PubChem (CID 22249050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).