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

C82H62Br4IN11O6 — CID 158891688

IUPAC2-bromo-6-iodo-3-methylpyridine;2-bromo-3-methyl-6-pyridin-3-ylpyridine;2-(4-bromophenyl)-3-methyl-6-pyridin-3-ylpyridine;2-(4-bromophenyl)-6-pyridin-3-ylpyridin-3-ol;(3S)-3-[2-[4-(3-hydroxy-6-pyridin-3-yl-2-pyridinyl)phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-c4nc(-c5cccnc5)ccc4O)cc3)CC(=O)NC1=O)C2.Cc1ccc(-c2cccnc2)nc1-c1ccc(Br)cc1.Cc1ccc(-c2cccnc2)nc1Br.Cc1ccc(I)nc1Br.Oc1ccc(-c2cccnc2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C32H24N4O5.C17H13BrN2.C16H11BrN2O.C11H9BrN2.C6H5BrIN/c1-41-24-9-8-23-18-36(30(39)25(23)15-24)19-32(16-28(38)35-31(32)40)13-12-20-4-6-21(7-5-20)29-27(37)11-10-26(34-29)22-3-2-14-33-17-22;1-12-4-9-16(14-3-2-10-19-11-14)20-17(12)13-5-7-15(18)8-6-13;17-13-5-3-11(4-6-13)16-15(20)8-7-14(19-16)12-2-1-9-18-10-12;1-8-4-5-10(14-11(8)12)9-3-2-6-13-7-9;1-4-2-3-5(8)9-6(4)7/h2-11,14-15,17,37H,16,18-19H2,1H3,(H,35,38,40);2-11H,1H3;1-10,20H;2-7H,1H3;2-3H,1H3/t32-;;;;/m1..../s1
InChIKeyJEHWTMNXSIOMHM-GNOHICJHSA-N
MW1743.99 g/mol
LogP18.70
Rot. Bonds10

About 2-bromo-6-iodo-3-methylpyridine;2-bromo-3-methyl-6-pyridin-3-ylpyridine;2-(4-bromophenyl)-3-methyl-6-pyridin-3-ylpyridine;2-(4-bromophenyl)-6-pyridin-3-ylpyridin-3-ol;(3S)-3-[2-[4-(3-hydroxy-6-pyridin-3-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-3-methyl-6-pyridin-3-ylpyridine;2-(4-bromophenyl)-3-methyl-6-pyridin-3-ylpyridine;2-(4-bromophenyl)-6-pyridin-3-ylpyridin-3-ol;(3S)-3-[2-[4-(3-hydroxy-6-pyridin-3-yl-2-pyridinyl)phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 158891688) has the molecular formula C82H62Br4IN11O6 and a molecular weight of 1743.99 g/mol. Its IUPAC name is 2-bromo-6-iodo-3-methylpyridine;2-bromo-3-methyl-6-pyridin-3-ylpyridine;2-(4-bromophenyl)-3-methyl-6-pyridin-3-ylpyridine;2-(4-bromophenyl)-6-pyridin-3-ylpyridin-3-ol;(3S)-3-[2-[4-(3-hydroxy-6-pyridin-3-yl-2-pyridinyl)phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name2-bromo-6-iodo-3-methylpyridine;2-bromo-3-methyl-6-pyridin-3-ylpyridine;2-(4-bromophenyl)-3-methyl-6-pyridin-3-ylpyridine;2-(4-bromophenyl)-6-pyridin-3-ylpyridin-3-ol;(3S)-3-[2-[4-(3-hydroxy-6-pyridin-3-yl-2-pyridinyl)phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione
PubChem CID158891688
Molecular FormulaC82H62Br4IN11O6
Molecular Weight1743.99 g/mol
Exact Mass1739.07
IUPAC Name2-bromo-6-iodo-3-methylpyridine;2-bromo-3-methyl-6-pyridin-3-ylpyridine;2-(4-bromophenyl)-3-methyl-6-pyridin-3-ylpyridine;2-(4-bromophenyl)-6-pyridin-3-ylpyridin-3-ol;(3S)-3-[2-[4-(3-hydroxy-6-pyridin-3-yl-2-pyridinyl)phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-c4nc(-c5cccnc5)ccc4O)cc3)CC(=O)NC1=O)C2.Cc1ccc(-c2cccnc2)nc1-c1ccc(Br)cc1.Cc1ccc(-c2cccnc2)nc1Br.Cc1ccc(I)nc1Br.Oc1ccc(-c2cccnc2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C32H24N4O5.C17H13BrN2.C16H11BrN2O.C11H9BrN2.C6H5BrIN/c1-41-24-9-8-23-18-36(30(39)25(23)15-24)19-32(16-28(38)35-31(32)40)13-12-20-4-6-21(7-5-20)29-27(37)11-10-26(34-29)22-3-2-14-33-17-22;1-12-4-9-16(14-3-2-10-19-11-14)20-17(12)13-5-7-15(18)8-6-13;17-13-5-3-11(4-6-13)16-15(20)8-7-14(19-16)12-2-1-9-18-10-12;1-8-4-5-10(14-11(8)12)9-3-2-6-13-7-9;1-4-2-3-5(8)9-6(4)7/h2-11,14-15,17,37H,16,18-19H2,1H3,(H,35,38,40);2-11H,1H3;1-10,20H;2-7H,1H3;2-3H,1H3/t32-;;;;/m1..../s1
InChIKeyJEHWTMNXSIOMHM-GNOHICJHSA-N
XLogP18.70
TPSA232.18 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001743.99
LogP ≤ 518.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

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'}

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-iodo-3-methylpyridine;2-bromo-3-methyl-6-pyridin-3-ylpyridine;2-(4-bromophenyl)-3-methyl-6-pyridin-3-ylpyridine;2-(4-bromophenyl)-6-pyridin-3-ylpyridin-3-ol;(3S)-3-[2-[4-(3-hydroxy-6-pyridin-3-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-3-methyl-6-pyridin-3-ylpyridine;2-(4-bromophenyl)-3-methyl-6-pyridin-3-ylpyridine;2-(4-bromophenyl)-6-pyridin-3-ylpyridin-3-ol;(3S)-3-[2-[4-(3-hydroxy-6-pyridin-3-yl-2-pyridinyl)phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione (CID 158891688) is 2-bromo-6-iodo-3-methylpyridine;2-bromo-3-methyl-6-pyridin-3-ylpyridine;2-(4-bromophenyl)-3-methyl-6-pyridin-3-ylpyridine;2-(4-bromophenyl)-6-pyridin-3-ylpyridin-3-ol;(3S)-3-[2-[4-(3-hydroxy-6-pyridin-3-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-3-methyl-6-pyridin-3-ylpyridine;2-(4-bromophenyl)-3-methyl-6-pyridin-3-ylpyridine;2-(4-bromophenyl)-6-pyridin-3-ylpyridin-3-ol;(3S)-3-[2-[4-(3-hydroxy-6-pyridin-3-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-3-methyl-6-pyridin-3-ylpyridine;2-(4-bromophenyl)-3-methyl-6-pyridin-3-ylpyridine;2-(4-bromophenyl)-6-pyridin-3-ylpyridin-3-ol;(3S)-3-[2-[4-(3-hydroxy-6-pyridin-3-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(-c5cccnc5)ccc4O)cc3)CC(=O)NC1=O)C2.Cc1ccc(-c2cccnc2)nc1-c1ccc(Br)cc1.Cc1ccc(-c2cccnc2)nc1Br.Cc1ccc(I)nc1Br.Oc1ccc(-c2cccnc2)nc1-c1ccc(Br)cc1.
What is the InChIKey of 2-bromo-6-iodo-3-methylpyridine;2-bromo-3-methyl-6-pyridin-3-ylpyridine;2-(4-bromophenyl)-3-methyl-6-pyridin-3-ylpyridine;2-(4-bromophenyl)-6-pyridin-3-ylpyridin-3-ol;(3S)-3-[2-[4-(3-hydroxy-6-pyridin-3-yl-2-pyridinyl)phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione?
The InChIKey is JEHWTMNXSIOMHM-GNOHICJHSA-N. The full InChI is InChI=1S/C32H24N4O5.C17H13BrN2.C16H11BrN2O.C11H9BrN2.C6H5BrIN/c1-41-24-9-8-23-18-36(30(39)25(23)15-24)19-32(16-28(38)35-31(32)40)13-12-20-4-6-21(7-5-20)29-27(37)11-10-26(34-29)22-3-2-14-33-17-22;1-12-4-9-16(14-3-2-10-19-11-14)20-17(12)13-5-7-15(18)8-6-13;17-13-5-3-11(4-6-13)16-15(20)8-7-14(19-16)12-2-1-9-18-10-12;1-8-4-5-10(14-11(8)12)9-3-2-6-13-7-9;1-4-2-3-5(8)9-6(4)7/h2-11,14-15,17,37H,16,18-19H2,1H3,(H,35,38,40);2-11H,1H3;1-10,20H;2-7H,1H3;2-3H,1H3/t32-;;;;/m1..../s1.
What are the key properties of 2-bromo-6-iodo-3-methylpyridine;2-bromo-3-methyl-6-pyridin-3-ylpyridine;2-(4-bromophenyl)-3-methyl-6-pyridin-3-ylpyridine;2-(4-bromophenyl)-6-pyridin-3-ylpyridin-3-ol;(3S)-3-[2-[4-(3-hydroxy-6-pyridin-3-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-3-methyl-6-pyridin-3-ylpyridine;2-(4-bromophenyl)-3-methyl-6-pyridin-3-ylpyridine;2-(4-bromophenyl)-6-pyridin-3-ylpyridin-3-ol;(3S)-3-[2-[4-(3-hydroxy-6-pyridin-3-yl-2-pyridinyl)phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 1743.99 g/mol, XLogP of 18.70, 10 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-iodo-3-methylpyridine;2-bromo-3-methyl-6-pyridin-3-ylpyridine;2-(4-bromophenyl)-3-methyl-6-pyridin-3-ylpyridine;2-(4-bromophenyl)-6-pyridin-3-ylpyridin-3-ol;(3S)-3-[2-[4-(3-hydroxy-6-pyridin-3-yl-2-pyridinyl)phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 158891688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).