magnesium;3,6-dibromo-2-[(2S)-1-[(R)-tert-butylsulfinyl]-3-(3,5-difluorophenyl)propan-2-yl]pyridine;3,6-dibromo-2-(dibromomethyl)pyridine;3,6-dibromo-2-methylpyridine;3,6-dibromopyridine-2-carbaldehyde;(S)-N-[(3,6-dibromo-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide;1,3-difluoro-5-methanidylbenzene;methane;oxolane;sulfane;bromide

C62H79Br13F4MgN6O4S4 — CID 157239943

About magnesium;3,6-dibromo-2-[(2S)-1-[(R)-tert-butylsulfinyl]-3-(3,5-difluorophenyl)propan-2-yl]pyridine;3,6-dibromo-2-(dibromomethyl)pyridine;3,6-dibromo-2-methylpyridine;3,6-dibromopyridine-2-carbaldehyde;(S)-N-[(3,6-dibromo-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide;1,3-difluoro-5-methanidylbenzene;methane;oxolane;sulfane;bromide

magnesium;3,6-dibromo-2-[(2S)-1-[(R)-tert-butylsulfinyl]-3-(3,5-difluorophenyl)propan-2-yl]pyridine;3,6-dibromo-2-(dibromomethyl)pyridine;3,6-dibromo-2-methylpyridine;3,6-dibromopyridine-2-carbaldehyde;(S)-N-[(3,6-dibromo-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide;1,3-difluoro-5-methanidylbenzene;methane;oxolane;sulfane;bromide (PubChem CID 157239943) has the molecular formula C62H79Br13F4MgN6O4S4 and a molecular weight of 2239.67 g/mol. Its IUPAC name is magnesium;3,6-dibromo-2-[(2S)-1-[(R)-tert-butylsulfinyl]-3-(3,5-difluorophenyl)propan-2-yl]pyridine;3,6-dibromo-2-(dibromomethyl)pyridine;3,6-dibromo-2-methylpyridine;3,6-dibromopyridine-2-carbaldehyde;(S)-N-[(3,6-dibromo-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide;1,3-difluoro-5-methanidylbenzene;methane;oxolane;sulfane;bromide.

Molecular Properties

• Compound Name: magnesium;3,6-dibromo-2-[(2S)-1-[(R)-tert-butylsulfinyl]-3-(3,5-difluorophenyl)propan-2-yl]pyridine;3,6-dibromo-2-(dibromomethyl)pyridine;3,6-dibromo-2-methylpyridine;3,6-dibromopyridine-2-carbaldehyde;(S)-N-[(3,6-dibromo-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide;1,3-difluoro-5-methanidylbenzene;methane;oxolane;sulfane;bromide
• PubChem CID: 157239943
• Molecular Formula: C62H79Br13F4MgN6O4S4
• Molecular Weight: 2239.67 g/mol
• Exact Mass: 2225.42
• IUPAC Name: magnesium;3,6-dibromo-2-[(2S)-1-[(R)-tert-butylsulfinyl]-3-(3,5-difluorophenyl)propan-2-yl]pyridine;3,6-dibromo-2-(dibromomethyl)pyridine;3,6-dibromo-2-methylpyridine;3,6-dibromopyridine-2-carbaldehyde;(S)-N-[(3,6-dibromo-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide;1,3-difluoro-5-methanidylbenzene;methane;oxolane;sulfane;bromide
• SMILES: Brc1ccc(Br)c(C(Br)Br)n1.C.C.C.C.C.C1CCOC1.CC(C)(C)[S@](=O)C[C@@H](Cc1cc(F)cc(F)c1)c1nc(Br)ccc1Br.CC(C)(C)[S@](=O)N=Cc1nc(Br)ccc1Br.Cc1nc(Br)ccc1Br.O=Cc1nc(Br)ccc1Br.S.S.[Br-].[CH2-]c1cc(F)cc(F)c1.[Mg+2]
• InChI: InChI=1S/C18H19Br2F2NOS.C10H12Br2N2OS.C7H5F2.C6H3Br4N.C6H3Br2NO.C6H5Br2N.C4H8O.5CH4.BrH.Mg.2H2S/c1-18(2,3)25(24)10-12(17-15(19)4-5-16(20)23-17)6-11-7-13(21)9-14(22)8-11;1-10(2,3)16(15)13-6-8-7(11)4-5-9(12)14-8;1-5-2-6(8)4-7(9)3-5;7-3-1-2-4(8)11-5(3)6(9)10;7-4-1-2-6(8)9-5(4)3-10;1-4-5(7)2-3-6(8)9-4;1-2-4-5-3-1;;;;;;;;;/h4-5,7-9,12H,6,10H2,1-3H3;4-6H,1-3H3;2-4H,1H2;1-2,6H;1-3H;2-3H,1H3;1-4H2;5*1H4;1H;;2*1H2/q;;-1;;;;;;;;;;;+2;;/p-1/t12-,25-;16-;;;;;;;;;;;;;;/m10............../s1
• InChIKey: ANLLXUNYBKNYHT-OXOPSTBSSA-M
• XLogP: 21.95
• TPSA: 137.25 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2239.67
LogP ≤ 5	21.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;3,6-dibromo-2-[(2S)-1-[(R)-tert-butylsulfinyl]-3-(3,5-difluorophenyl)propan-2-yl]pyridine;3,6-dibromo-2-(dibromomethyl)pyridine;3,6-dibromo-2-methylpyridine;3,6-dibromopyridine-2-carbaldehyde;(S)-N-[(3,6-dibromo-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide;1,3-difluoro-5-methanidylbenzene;methane;oxolane;sulfane;bromide?

The IUPAC name of magnesium;3,6-dibromo-2-[(2S)-1-[(R)-tert-butylsulfinyl]-3-(3,5-difluorophenyl)propan-2-yl]pyridine;3,6-dibromo-2-(dibromomethyl)pyridine;3,6-dibromo-2-methylpyridine;3,6-dibromopyridine-2-carbaldehyde;(S)-N-[(3,6-dibromo-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide;1,3-difluoro-5-methanidylbenzene;methane;oxolane;sulfane;bromide (CID 157239943) is magnesium;3,6-dibromo-2-[(2S)-1-[(R)-tert-butylsulfinyl]-3-(3,5-difluorophenyl)propan-2-yl]pyridine;3,6-dibromo-2-(dibromomethyl)pyridine;3,6-dibromo-2-methylpyridine;3,6-dibromopyridine-2-carbaldehyde;(S)-N-[(3,6-dibromo-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide;1,3-difluoro-5-methanidylbenzene;methane;oxolane;sulfane;bromide.

What is the SMILES notation for magnesium;3,6-dibromo-2-[(2S)-1-[(R)-tert-butylsulfinyl]-3-(3,5-difluorophenyl)propan-2-yl]pyridine;3,6-dibromo-2-(dibromomethyl)pyridine;3,6-dibromo-2-methylpyridine;3,6-dibromopyridine-2-carbaldehyde;(S)-N-[(3,6-dibromo-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide;1,3-difluoro-5-methanidylbenzene;methane;oxolane;sulfane;bromide?

The canonical SMILES for magnesium;3,6-dibromo-2-[(2S)-1-[(R)-tert-butylsulfinyl]-3-(3,5-difluorophenyl)propan-2-yl]pyridine;3,6-dibromo-2-(dibromomethyl)pyridine;3,6-dibromo-2-methylpyridine;3,6-dibromopyridine-2-carbaldehyde;(S)-N-[(3,6-dibromo-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide;1,3-difluoro-5-methanidylbenzene;methane;oxolane;sulfane;bromide is Brc1ccc(Br)c(C(Br)Br)n1.C.C.C.C.C.C1CCOC1.CC(C)(C)[S@](=O)C[C@@H](Cc1cc(F)cc(F)c1)c1nc(Br)ccc1Br.CC(C)(C)[S@](=O)N=Cc1nc(Br)ccc1Br.Cc1nc(Br)ccc1Br.O=Cc1nc(Br)ccc1Br.S.S.[Br-].[CH2-]c1cc(F)cc(F)c1.[Mg+2].

What is the InChIKey of magnesium;3,6-dibromo-2-[(2S)-1-[(R)-tert-butylsulfinyl]-3-(3,5-difluorophenyl)propan-2-yl]pyridine;3,6-dibromo-2-(dibromomethyl)pyridine;3,6-dibromo-2-methylpyridine;3,6-dibromopyridine-2-carbaldehyde;(S)-N-[(3,6-dibromo-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide;1,3-difluoro-5-methanidylbenzene;methane;oxolane;sulfane;bromide?

The InChIKey is ANLLXUNYBKNYHT-OXOPSTBSSA-M. The full InChI is InChI=1S/C18H19Br2F2NOS.C10H12Br2N2OS.C7H5F2.C6H3Br4N.C6H3Br2NO.C6H5Br2N.C4H8O.5CH4.BrH.Mg.2H2S/c1-18(2,3)25(24)10-12(17-15(19)4-5-16(20)23-17)6-11-7-13(21)9-14(22)8-11;1-10(2,3)16(15)13-6-8-7(11)4-5-9(12)14-8;1-5-2-6(8)4-7(9)3-5;7-3-1-2-4(8)11-5(3)6(9)10;7-4-1-2-6(8)9-5(4)3-10;1-4-5(7)2-3-6(8)9-4;1-2-4-5-3-1;;;;;;;;;/h4-5,7-9,12H,6,10H2,1-3H3;4-6H,1-3H3;2-4H,1H2;1-2,6H;1-3H;2-3H,1H3;1-4H2;5*1H4;1H;;2*1H2/q;;-1;;;;;;;;;;;+2;;/p-1/t12-,25-;16-;;;;;;;;;;;;;;/m10............../s1.

What are the key properties of magnesium;3,6-dibromo-2-[(2S)-1-[(R)-tert-butylsulfinyl]-3-(3,5-difluorophenyl)propan-2-yl]pyridine;3,6-dibromo-2-(dibromomethyl)pyridine;3,6-dibromo-2-methylpyridine;3,6-dibromopyridine-2-carbaldehyde;(S)-N-[(3,6-dibromo-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide;1,3-difluoro-5-methanidylbenzene;methane;oxolane;sulfane;bromide?

magnesium;3,6-dibromo-2-[(2S)-1-[(R)-tert-butylsulfinyl]-3-(3,5-difluorophenyl)propan-2-yl]pyridine;3,6-dibromo-2-(dibromomethyl)pyridine;3,6-dibromo-2-methylpyridine;3,6-dibromopyridine-2-carbaldehyde;(S)-N-[(3,6-dibromo-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide;1,3-difluoro-5-methanidylbenzene;methane;oxolane;sulfane;bromide has a molecular weight of 2239.67 g/mol, XLogP of 21.95, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;3,6-dibromo-2-[(2S)-1-[(R)-tert-butylsulfinyl]-3-(3,5-difluorophenyl)propan-2-yl]pyridine;3,6-dibromo-2-(dibromomethyl)pyridine;3,6-dibromo-2-methylpyridine;3,6-dibromopyridine-2-carbaldehyde;(S)-N-[(3,6-dibromo-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide;1,3-difluoro-5-methanidylbenzene;methane;oxolane;sulfane;bromide is sourced from PubChem (CID 157239943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).