dimagnesium;2-(5-bromo-3-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;3,5-dibromopyridine;5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyridine-3-carbaldehyde;1,1,1,3,3,3-hexafluoropropan-2-one;propane;dichloride

C31H26Br3Cl2F18Mg2N3O4 — CID 157305196

About dimagnesium;2-(5-bromo-3-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;3,5-dibromopyridine;5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyridine-3-carbaldehyde;1,1,1,3,3,3-hexafluoropropan-2-one;propane;dichloride

dimagnesium;2-(5-bromo-3-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;3,5-dibromopyridine;5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyridine-3-carbaldehyde;1,1,1,3,3,3-hexafluoropropan-2-one;propane;dichloride (PubChem CID 157305196) has the molecular formula C31H26Br3Cl2F18Mg2N3O4 and a molecular weight of 1205.76 g/mol. Its IUPAC name is dimagnesium;2-(5-bromo-3-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;3,5-dibromopyridine;5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyridine-3-carbaldehyde;1,1,1,3,3,3-hexafluoropropan-2-one;propane;dichloride.

Molecular Properties

• Compound Name: dimagnesium;2-(5-bromo-3-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;3,5-dibromopyridine;5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyridine-3-carbaldehyde;1,1,1,3,3,3-hexafluoropropan-2-one;propane;dichloride
• PubChem CID: 157305196
• Molecular Formula: C31H26Br3Cl2F18Mg2N3O4
• Molecular Weight: 1205.76 g/mol
• Exact Mass: 1200.83
• IUPAC Name: dimagnesium;2-(5-bromo-3-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;3,5-dibromopyridine;5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyridine-3-carbaldehyde;1,1,1,3,3,3-hexafluoropropan-2-one;propane;dichloride
• SMILES: Brc1cncc(Br)c1.C[CH-]C.C[CH-]C.O=C(C(F)(F)F)C(F)(F)F.O=Cc1cncc(C(O)(C(F)(F)F)C(F)(F)F)c1.OC(c1cncc(Br)c1)(C(F)(F)F)C(F)(F)F.[Cl-].[Cl-].[Mg+2].[Mg+2]
• InChI: InChI=1S/C9H5F6NO2.C8H4BrF6NO.C5H3Br2N.C3F6O.2C3H7.2ClH.2Mg/c10-8(11,12)7(18,9(13,14)15)6-1-5(4-17)2-16-3-6;9-5-1-4(2-16-3-5)6(17,7(10,11)12)8(13,14)15;6-4-1-5(7)3-8-2-4;4-2(5,6)1(10)3(7,8)9;2*1-3-2;;;;/h1-4,18H;1-3,17H;1-3H;;2*3H,1-2H3;2*1H;;/q;;;;2*-1;;;2*+2/p-2
• InChIKey: KGHSCXILAAOYOB-UHFFFAOYSA-L
• XLogP: 5.36
• TPSA: 113.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1205.76
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dimagnesium;2-(5-bromo-3-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;3,5-dibromopyridine;5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyridine-3-carbaldehyde;1,1,1,3,3,3-hexafluoropropan-2-one;propane;dichloride?

The IUPAC name of dimagnesium;2-(5-bromo-3-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;3,5-dibromopyridine;5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyridine-3-carbaldehyde;1,1,1,3,3,3-hexafluoropropan-2-one;propane;dichloride (CID 157305196) is dimagnesium;2-(5-bromo-3-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;3,5-dibromopyridine;5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyridine-3-carbaldehyde;1,1,1,3,3,3-hexafluoropropan-2-one;propane;dichloride.

What is the SMILES notation for dimagnesium;2-(5-bromo-3-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;3,5-dibromopyridine;5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyridine-3-carbaldehyde;1,1,1,3,3,3-hexafluoropropan-2-one;propane;dichloride?

The canonical SMILES for dimagnesium;2-(5-bromo-3-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;3,5-dibromopyridine;5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyridine-3-carbaldehyde;1,1,1,3,3,3-hexafluoropropan-2-one;propane;dichloride is Brc1cncc(Br)c1.C[CH-]C.C[CH-]C.O=C(C(F)(F)F)C(F)(F)F.O=Cc1cncc(C(O)(C(F)(F)F)C(F)(F)F)c1.OC(c1cncc(Br)c1)(C(F)(F)F)C(F)(F)F.[Cl-].[Cl-].[Mg+2].[Mg+2].

What is the InChIKey of dimagnesium;2-(5-bromo-3-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;3,5-dibromopyridine;5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyridine-3-carbaldehyde;1,1,1,3,3,3-hexafluoropropan-2-one;propane;dichloride?

The InChIKey is KGHSCXILAAOYOB-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H5F6NO2.C8H4BrF6NO.C5H3Br2N.C3F6O.2C3H7.2ClH.2Mg/c10-8(11,12)7(18,9(13,14)15)6-1-5(4-17)2-16-3-6;9-5-1-4(2-16-3-5)6(17,7(10,11)12)8(13,14)15;6-4-1-5(7)3-8-2-4;4-2(5,6)1(10)3(7,8)9;2*1-3-2;;;;/h1-4,18H;1-3,17H;1-3H;;2*3H,1-2H3;2*1H;;/q;;;;2*-1;;;2*+2/p-2.

What are the key properties of dimagnesium;2-(5-bromo-3-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;3,5-dibromopyridine;5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyridine-3-carbaldehyde;1,1,1,3,3,3-hexafluoropropan-2-one;propane;dichloride?

dimagnesium;2-(5-bromo-3-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;3,5-dibromopyridine;5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyridine-3-carbaldehyde;1,1,1,3,3,3-hexafluoropropan-2-one;propane;dichloride has a molecular weight of 1205.76 g/mol, XLogP of 5.36, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for dimagnesium;2-(5-bromo-3-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;3,5-dibromopyridine;5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyridine-3-carbaldehyde;1,1,1,3,3,3-hexafluoropropan-2-one;propane;dichloride is sourced from PubChem (CID 157305196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).