5-bromo-4-methylpyridine-2-carbaldehyde;(S)-N-[(1S)-1-(5-bromo-4-methyl-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide;(S)-N-[(5-bromo-4-methyl-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide;methane;(S)-2-methyl-N-[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]propane-2-sulfinamide;(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethanamine

C63H80Br3F6N11O4S3 — CID 162124053

About 5-bromo-4-methylpyridine-2-carbaldehyde;(S)-N-[(1S)-1-(5-bromo-4-methyl-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide;(S)-N-[(5-bromo-4-methyl-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide;methane;(S)-2-methyl-N-[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]propane-2-sulfinamide;(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethanamine

5-bromo-4-methylpyridine-2-carbaldehyde;(S)-N-[(1S)-1-(5-bromo-4-methyl-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide;(S)-N-[(5-bromo-4-methyl-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide;methane;(S)-2-methyl-N-[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]propane-2-sulfinamide;(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethanamine (PubChem CID 162124053) has the molecular formula C63H80Br3F6N11O4S3 and a molecular weight of 1505.31 g/mol. Its IUPAC name is 5-bromo-4-methylpyridine-2-carbaldehyde;(S)-N-[(1S)-1-(5-bromo-4-methyl-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide;(S)-N-[(5-bromo-4-methyl-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide;methane;(S)-2-methyl-N-[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]propane-2-sulfinamide;(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethanamine.

Molecular Properties

• Compound Name: 5-bromo-4-methylpyridine-2-carbaldehyde;(S)-N-[(1S)-1-(5-bromo-4-methyl-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide;(S)-N-[(5-bromo-4-methyl-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide;methane;(S)-2-methyl-N-[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]propane-2-sulfinamide;(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethanamine
• PubChem CID: 162124053
• Molecular Formula: C63H80Br3F6N11O4S3
• Molecular Weight: 1505.31 g/mol
• Exact Mass: 1501.30
• IUPAC Name: 5-bromo-4-methylpyridine-2-carbaldehyde;(S)-N-[(1S)-1-(5-bromo-4-methyl-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide;(S)-N-[(5-bromo-4-methyl-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide;methane;(S)-2-methyl-N-[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]propane-2-sulfinamide;(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethanamine
• SMILES: C.Cc1cc(C=N[S@@](=O)C(C)(C)C)ncc1Br.Cc1cc(C=O)ncc1Br.Cc1cc([C@H](C)N)ncc1-c1ccnc(C(F)(F)F)c1.Cc1cc([C@H](C)N[S@@](=O)C(C)(C)C)ncc1-c1ccnc(C(F)(F)F)c1.Cc1cc([C@H](C)N[S@@](=O)C(C)(C)C)ncc1Br
• InChI: InChI=1S/C18H22F3N3OS.C14H14F3N3.C12H19BrN2OS.C11H15BrN2OS.C7H6BrNO.CH4/c1-11-8-15(12(2)24-26(25)17(3,4)5)23-10-14(11)13-6-7-22-16(9-13)18(19,20)21;1-8-5-12(9(2)18)20-7-11(8)10-3-4-19-13(6-10)14(15,16)17;1-8-6-11(14-7-10(8)13)9(2)15-17(16)12(3,4)5;1-8-5-9(13-7-10(8)12)6-14-16(15)11(2,3)4;1-5-2-6(4-10)9-3-7(5)8;/h6-10,12,24H,1-5H3;3-7,9H,18H2,1-2H3;6-7,9,15H,1-5H3;5-7H,1-4H3;2-4H,1H3;1H4/t12-,26-;9-;9-,17-;16-;;/m0000../s1
• InChIKey: ZHUGDLSLOJAYET-NVFFDGQESA-N
• XLogP: 16.97
• TPSA: 220.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1505.31
LogP ≤ 5	16.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methylpyridine-2-carbaldehyde;(S)-N-[(1S)-1-(5-bromo-4-methyl-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide;(S)-N-[(5-bromo-4-methyl-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide;methane;(S)-2-methyl-N-[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]propane-2-sulfinamide;(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethanamine?

The IUPAC name of 5-bromo-4-methylpyridine-2-carbaldehyde;(S)-N-[(1S)-1-(5-bromo-4-methyl-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide;(S)-N-[(5-bromo-4-methyl-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide;methane;(S)-2-methyl-N-[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]propane-2-sulfinamide;(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethanamine (CID 162124053) is 5-bromo-4-methylpyridine-2-carbaldehyde;(S)-N-[(1S)-1-(5-bromo-4-methyl-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide;(S)-N-[(5-bromo-4-methyl-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide;methane;(S)-2-methyl-N-[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]propane-2-sulfinamide;(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethanamine.

What is the SMILES notation for 5-bromo-4-methylpyridine-2-carbaldehyde;(S)-N-[(1S)-1-(5-bromo-4-methyl-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide;(S)-N-[(5-bromo-4-methyl-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide;methane;(S)-2-methyl-N-[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]propane-2-sulfinamide;(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethanamine?

The canonical SMILES for 5-bromo-4-methylpyridine-2-carbaldehyde;(S)-N-[(1S)-1-(5-bromo-4-methyl-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide;(S)-N-[(5-bromo-4-methyl-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide;methane;(S)-2-methyl-N-[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]propane-2-sulfinamide;(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethanamine is C.Cc1cc(C=N[S@@](=O)C(C)(C)C)ncc1Br.Cc1cc(C=O)ncc1Br.Cc1cc([C@H](C)N)ncc1-c1ccnc(C(F)(F)F)c1.Cc1cc([C@H](C)N[S@@](=O)C(C)(C)C)ncc1-c1ccnc(C(F)(F)F)c1.Cc1cc([C@H](C)N[S@@](=O)C(C)(C)C)ncc1Br.

What is the InChIKey of 5-bromo-4-methylpyridine-2-carbaldehyde;(S)-N-[(1S)-1-(5-bromo-4-methyl-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide;(S)-N-[(5-bromo-4-methyl-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide;methane;(S)-2-methyl-N-[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]propane-2-sulfinamide;(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethanamine?

The InChIKey is ZHUGDLSLOJAYET-NVFFDGQESA-N. The full InChI is InChI=1S/C18H22F3N3OS.C14H14F3N3.C12H19BrN2OS.C11H15BrN2OS.C7H6BrNO.CH4/c1-11-8-15(12(2)24-26(25)17(3,4)5)23-10-14(11)13-6-7-22-16(9-13)18(19,20)21;1-8-5-12(9(2)18)20-7-11(8)10-3-4-19-13(6-10)14(15,16)17;1-8-6-11(14-7-10(8)13)9(2)15-17(16)12(3,4)5;1-8-5-9(13-7-10(8)12)6-14-16(15)11(2,3)4;1-5-2-6(4-10)9-3-7(5)8;/h6-10,12,24H,1-5H3;3-7,9H,18H2,1-2H3;6-7,9,15H,1-5H3;5-7H,1-4H3;2-4H,1H3;1H4/t12-,26-;9-;9-,17-;16-;;/m0000../s1.

What are the key properties of 5-bromo-4-methylpyridine-2-carbaldehyde;(S)-N-[(1S)-1-(5-bromo-4-methyl-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide;(S)-N-[(5-bromo-4-methyl-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide;methane;(S)-2-methyl-N-[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]propane-2-sulfinamide;(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethanamine?

5-bromo-4-methylpyridine-2-carbaldehyde;(S)-N-[(1S)-1-(5-bromo-4-methyl-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide;(S)-N-[(5-bromo-4-methyl-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide;methane;(S)-2-methyl-N-[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]propane-2-sulfinamide;(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethanamine has a molecular weight of 1505.31 g/mol, XLogP of 16.97, 12 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-4-methylpyridine-2-carbaldehyde;(S)-N-[(1S)-1-(5-bromo-4-methyl-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide;(S)-N-[(5-bromo-4-methyl-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide;methane;(S)-2-methyl-N-[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]propane-2-sulfinamide;(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethanamine is sourced from PubChem (CID 162124053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).