2-bromo-6-iodo-3-methylpyridine;2-bromo-6-iodopyridin-3-ol;2-bromo-3-methyl-6-pyridin-4-ylpyridine;2-(4-bromophenyl)-3-methyl-6-pyridin-4-ylpyridine;2-(4-bromophenyl)-6-pyridin-4-ylpyridin-3-ol;2-bromopyridin-3-ol;(3S)-3-[2-[4-(3-hydroxy-6-pyridin-4-yl-2-pyridinyl)phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione

C92H69Br6I2N13O8 — CID 157483653

About 2-bromo-6-iodo-3-methylpyridine;2-bromo-6-iodopyridin-3-ol;2-bromo-3-methyl-6-pyridin-4-ylpyridine;2-(4-bromophenyl)-3-methyl-6-pyridin-4-ylpyridine;2-(4-bromophenyl)-6-pyridin-4-ylpyridin-3-ol;2-bromopyridin-3-ol;(3S)-3-[2-[4-(3-hydroxy-6-pyridin-4-yl-2-pyridinyl)phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione

2-bromo-6-iodo-3-methylpyridine;2-bromo-6-iodopyridin-3-ol;2-bromo-3-methyl-6-pyridin-4-ylpyridine;2-(4-bromophenyl)-3-methyl-6-pyridin-4-ylpyridine;2-(4-bromophenyl)-6-pyridin-4-ylpyridin-3-ol;2-bromopyridin-3-ol;(3S)-3-[2-[4-(3-hydroxy-6-pyridin-4-yl-2-pyridinyl)phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 157483653) has the molecular formula C92H69Br6I2N13O8 and a molecular weight of 2217.88 g/mol. Its IUPAC name is 2-bromo-6-iodo-3-methylpyridine;2-bromo-6-iodopyridin-3-ol;2-bromo-3-methyl-6-pyridin-4-ylpyridine;2-(4-bromophenyl)-3-methyl-6-pyridin-4-ylpyridine;2-(4-bromophenyl)-6-pyridin-4-ylpyridin-3-ol;2-bromopyridin-3-ol;(3S)-3-[2-[4-(3-hydroxy-6-pyridin-4-yl-2-pyridinyl)phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: 2-bromo-6-iodo-3-methylpyridine;2-bromo-6-iodopyridin-3-ol;2-bromo-3-methyl-6-pyridin-4-ylpyridine;2-(4-bromophenyl)-3-methyl-6-pyridin-4-ylpyridine;2-(4-bromophenyl)-6-pyridin-4-ylpyridin-3-ol;2-bromopyridin-3-ol;(3S)-3-[2-[4-(3-hydroxy-6-pyridin-4-yl-2-pyridinyl)phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione
• PubChem CID: 157483653
• Molecular Formula: C92H69Br6I2N13O8
• Molecular Weight: 2217.88 g/mol
• Exact Mass: 2210.86
• IUPAC Name: 2-bromo-6-iodo-3-methylpyridine;2-bromo-6-iodopyridin-3-ol;2-bromo-3-methyl-6-pyridin-4-ylpyridine;2-(4-bromophenyl)-3-methyl-6-pyridin-4-ylpyridine;2-(4-bromophenyl)-6-pyridin-4-ylpyridin-3-ol;2-bromopyridin-3-ol;(3S)-3-[2-[4-(3-hydroxy-6-pyridin-4-yl-2-pyridinyl)phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-c4nc(-c5ccncc5)ccc4O)cc3)CC(=O)NC1=O)C2.Cc1ccc(-c2ccncc2)nc1-c1ccc(Br)cc1.Cc1ccc(-c2ccncc2)nc1Br.Cc1ccc(I)nc1Br.Oc1ccc(-c2ccncc2)nc1-c1ccc(Br)cc1.Oc1ccc(I)nc1Br.Oc1cccnc1Br
• InChI: InChI=1S/C32H24N4O5.C17H13BrN2.C16H11BrN2O.C11H9BrN2.C6H5BrIN.C5H3BrINO.C5H4BrNO/c1-41-24-7-6-23-18-36(30(39)25(23)16-24)19-32(17-28(38)35-31(32)40)13-10-20-2-4-22(5-3-20)29-27(37)9-8-26(34-29)21-11-14-33-15-12-21;1-12-2-7-16(13-8-10-19-11-9-13)20-17(12)14-3-5-15(18)6-4-14;17-13-3-1-12(2-4-13)16-15(20)6-5-14(19-16)11-7-9-18-10-8-11;1-8-2-3-10(14-11(8)12)9-4-6-13-7-5-9;1-4-2-3-5(8)9-6(4)7;6-5-3(9)1-2-4(7)8-5;6-5-4(8)2-1-3-7-5/h2-9,11-12,14-16,37H,17-19H2,1H3,(H,35,38,40);2-11H,1H3;1-10,20H;2-7H,1H3;2-3H,1H3;1-2,9H;1-3,8H/t32-;;;;;;/m1....../s1
• InChIKey: BWLKSEXQFKXNPV-NADOPDMGSA-N
• XLogP: 22.40
• TPSA: 298.42 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 10
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2217.88
LogP ≤ 5	22.40
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-iodo-3-methylpyridine;2-bromo-6-iodopyridin-3-ol;2-bromo-3-methyl-6-pyridin-4-ylpyridine;2-(4-bromophenyl)-3-methyl-6-pyridin-4-ylpyridine;2-(4-bromophenyl)-6-pyridin-4-ylpyridin-3-ol;2-bromopyridin-3-ol;(3S)-3-[2-[4-(3-hydroxy-6-pyridin-4-yl-2-pyridinyl)phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione?

The IUPAC name of 2-bromo-6-iodo-3-methylpyridine;2-bromo-6-iodopyridin-3-ol;2-bromo-3-methyl-6-pyridin-4-ylpyridine;2-(4-bromophenyl)-3-methyl-6-pyridin-4-ylpyridine;2-(4-bromophenyl)-6-pyridin-4-ylpyridin-3-ol;2-bromopyridin-3-ol;(3S)-3-[2-[4-(3-hydroxy-6-pyridin-4-yl-2-pyridinyl)phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione (CID 157483653) is 2-bromo-6-iodo-3-methylpyridine;2-bromo-6-iodopyridin-3-ol;2-bromo-3-methyl-6-pyridin-4-ylpyridine;2-(4-bromophenyl)-3-methyl-6-pyridin-4-ylpyridine;2-(4-bromophenyl)-6-pyridin-4-ylpyridin-3-ol;2-bromopyridin-3-ol;(3S)-3-[2-[4-(3-hydroxy-6-pyridin-4-yl-2-pyridinyl)phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione.

What is the SMILES notation for 2-bromo-6-iodo-3-methylpyridine;2-bromo-6-iodopyridin-3-ol;2-bromo-3-methyl-6-pyridin-4-ylpyridine;2-(4-bromophenyl)-3-methyl-6-pyridin-4-ylpyridine;2-(4-bromophenyl)-6-pyridin-4-ylpyridin-3-ol;2-bromopyridin-3-ol;(3S)-3-[2-[4-(3-hydroxy-6-pyridin-4-yl-2-pyridinyl)phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione?

The canonical SMILES for 2-bromo-6-iodo-3-methylpyridine;2-bromo-6-iodopyridin-3-ol;2-bromo-3-methyl-6-pyridin-4-ylpyridine;2-(4-bromophenyl)-3-methyl-6-pyridin-4-ylpyridine;2-(4-bromophenyl)-6-pyridin-4-ylpyridin-3-ol;2-bromopyridin-3-ol;(3S)-3-[2-[4-(3-hydroxy-6-pyridin-4-yl-2-pyridinyl)phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-c4nc(-c5ccncc5)ccc4O)cc3)CC(=O)NC1=O)C2.Cc1ccc(-c2ccncc2)nc1-c1ccc(Br)cc1.Cc1ccc(-c2ccncc2)nc1Br.Cc1ccc(I)nc1Br.Oc1ccc(-c2ccncc2)nc1-c1ccc(Br)cc1.Oc1ccc(I)nc1Br.Oc1cccnc1Br.

What is the InChIKey of 2-bromo-6-iodo-3-methylpyridine;2-bromo-6-iodopyridin-3-ol;2-bromo-3-methyl-6-pyridin-4-ylpyridine;2-(4-bromophenyl)-3-methyl-6-pyridin-4-ylpyridine;2-(4-bromophenyl)-6-pyridin-4-ylpyridin-3-ol;2-bromopyridin-3-ol;(3S)-3-[2-[4-(3-hydroxy-6-pyridin-4-yl-2-pyridinyl)phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione?

The InChIKey is BWLKSEXQFKXNPV-NADOPDMGSA-N. The full InChI is InChI=1S/C32H24N4O5.C17H13BrN2.C16H11BrN2O.C11H9BrN2.C6H5BrIN.C5H3BrINO.C5H4BrNO/c1-41-24-7-6-23-18-36(30(39)25(23)16-24)19-32(17-28(38)35-31(32)40)13-10-20-2-4-22(5-3-20)29-27(37)9-8-26(34-29)21-11-14-33-15-12-21;1-12-2-7-16(13-8-10-19-11-9-13)20-17(12)14-3-5-15(18)6-4-14;17-13-3-1-12(2-4-13)16-15(20)6-5-14(19-16)11-7-9-18-10-8-11;1-8-2-3-10(14-11(8)12)9-4-6-13-7-5-9;1-4-2-3-5(8)9-6(4)7;6-5-3(9)1-2-4(7)8-5;6-5-4(8)2-1-3-7-5/h2-9,11-12,14-16,37H,17-19H2,1H3,(H,35,38,40);2-11H,1H3;1-10,20H;2-7H,1H3;2-3H,1H3;1-2,9H;1-3,8H/t32-;;;;;;/m1....../s1.

What are the key properties of 2-bromo-6-iodo-3-methylpyridine;2-bromo-6-iodopyridin-3-ol;2-bromo-3-methyl-6-pyridin-4-ylpyridine;2-(4-bromophenyl)-3-methyl-6-pyridin-4-ylpyridine;2-(4-bromophenyl)-6-pyridin-4-ylpyridin-3-ol;2-bromopyridin-3-ol;(3S)-3-[2-[4-(3-hydroxy-6-pyridin-4-yl-2-pyridinyl)phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione?

2-bromo-6-iodo-3-methylpyridine;2-bromo-6-iodopyridin-3-ol;2-bromo-3-methyl-6-pyridin-4-ylpyridine;2-(4-bromophenyl)-3-methyl-6-pyridin-4-ylpyridine;2-(4-bromophenyl)-6-pyridin-4-ylpyridin-3-ol;2-bromopyridin-3-ol;(3S)-3-[2-[4-(3-hydroxy-6-pyridin-4-yl-2-pyridinyl)phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 2217.88 g/mol, XLogP of 22.40, 10 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-6-iodo-3-methylpyridine;2-bromo-6-iodopyridin-3-ol;2-bromo-3-methyl-6-pyridin-4-ylpyridine;2-(4-bromophenyl)-3-methyl-6-pyridin-4-ylpyridine;2-(4-bromophenyl)-6-pyridin-4-ylpyridin-3-ol;2-bromopyridin-3-ol;(3S)-3-[2-[4-(3-hydroxy-6-pyridin-4-yl-2-pyridinyl)phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 157483653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).