4-bromo-1-methylpyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;ethyl 3-(aminomethyl)hexanoate;7-hydroxypyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-b]pyridine-4-carbaldehyde;1-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)methyl]-4-propylpyrrolidin-2-one;4-propyl-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)pyrrolidin-2-one;1H-pyrrolo[2,3-b]pyridine
C78H91Br2N17O6 — CID 158087921
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC4-bromo-1-methylpyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;ethyl 3-(aminomethyl)hexanoate;7-hydroxypyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-b]pyridine-4-carbaldehyde;1-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)methyl]-4-propylpyrrolidin-2-one;4-propyl-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)pyrrolidin-2-one;1H-pyrrolo[2,3-b]pyridine
SMILESBrc1ccnc2[nH]ccc12.CCCC(CN)CC(=O)OCC.CCCC1CC(=O)N(Cc2ccnc3[nH]ccc23)C1.CCCC1CC(=O)N(Cc2ccnc3c2ccn3C)C1.Cn1ccc2c(Br)ccnc21.Cn1ccc2c(C=O)ccnc21.On1cccc2ccnc1-2.c1cnc2[nH]ccc2c1
InChIInChI=1S/C16H21N3O.C15H19N3O.C9H8N2O.C9H19NO2.C8H7BrN2.C7H5BrN2.C7H6N2O.C7H6N2/c1-3-4-12-9-15(20)19(10-12)11-13-5-7-17-16-14(13)6-8-18(16)2;1-2-3-11-8-14(19)18(9-11)10-12-4-6-16-15-13(12)5-7-17-15;1-11-5-3-8-7(6-12)2-4-10-9(8)11;1-3-5-8(7-10)6-9(11)12-4-2;1-11-5-3-6-7(9)2-4-10-8(6)11;8-6-2-4-10-7-5(6)1-3-9-7;10-9-5-1-2-6-3-4-8-7(6)9;1-2-6-3-5-9-7(6)8-4-1/h5-8,12H,3-4,9-11H2,1-2H3;4-7,11H,2-3,8-10H2,1H3,(H,16,17);2-6H,1H3;8H,3-7,10H2,1-2H3;2-5H,1H3;1-4H,(H,9,10);1-5,10H;1-5H,(H,8,9)
InChIKeyUZVFFUCZQFKSJS-UHFFFAOYSA-N
MW1522.51 g/mol
LogP15.58
Rot. Bonds15
About 4-bromo-1-methylpyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;ethyl 3-(aminomethyl)hexanoate;7-hydroxypyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-b]pyridine-4-carbaldehyde;1-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)methyl]-4-propylpyrrolidin-2-one;4-propyl-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)pyrrolidin-2-one;1H-pyrrolo[2,3-b]pyridine
4-bromo-1-methylpyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;ethyl 3-(aminomethyl)hexanoate;7-hydroxypyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-b]pyridine-4-carbaldehyde;1-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)methyl]-4-propylpyrrolidin-2-one;4-propyl-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)pyrrolidin-2-one;1H-pyrrolo[2,3-b]pyridine (PubChem CID 158087921) has the molecular formula C78H91Br2N17O6 and a molecular weight of 1522.51 g/mol. Its IUPAC name is 4-bromo-1-methylpyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;ethyl 3-(aminomethyl)hexanoate;7-hydroxypyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-b]pyridine-4-carbaldehyde;1-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)methyl]-4-propylpyrrolidin-2-one;4-propyl-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)pyrrolidin-2-one;1H-pyrrolo[2,3-b]pyridine.
Molecular Properties
| Compound Name | 4-bromo-1-methylpyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;ethyl 3-(aminomethyl)hexanoate;7-hydroxypyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-b]pyridine-4-carbaldehyde;1-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)methyl]-4-propylpyrrolidin-2-one;4-propyl-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)pyrrolidin-2-one;1H-pyrrolo[2,3-b]pyridine |
|---|---|
| PubChem CID | 158087921 |
| Molecular Formula | C78H91Br2N17O6 |
| Molecular Weight | 1522.51 g/mol |
| Exact Mass | 1519.57 |
| IUPAC Name | 4-bromo-1-methylpyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;ethyl 3-(aminomethyl)hexanoate;7-hydroxypyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-b]pyridine-4-carbaldehyde;1-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)methyl]-4-propylpyrrolidin-2-one;4-propyl-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)pyrrolidin-2-one;1H-pyrrolo[2,3-b]pyridine |
| SMILES | Brc1ccnc2[nH]ccc12.CCCC(CN)CC(=O)OCC.CCCC1CC(=O)N(Cc2ccnc3[nH]ccc23)C1.CCCC1CC(=O)N(Cc2ccnc3c2ccn3C)C1.Cn1ccc2c(Br)ccnc21.Cn1ccc2c(C=O)ccnc21.On1cccc2ccnc1-2.c1cnc2[nH]ccc2c1 |
| InChI | InChI=1S/C16H21N3O.C15H19N3O.C9H8N2O.C9H19NO2.C8H7BrN2.C7H5BrN2.C7H6N2O.C7H6N2/c1-3-4-12-9-15(20)19(10-12)11-13-5-7-17-16-14(13)6-8-18(16)2;1-2-3-11-8-14(19)18(9-11)10-12-4-6-16-15-13(12)5-7-17-15;1-11-5-3-8-7(6-12)2-4-10-9(8)11;1-3-5-8(7-10)6-9(11)12-4-2;1-11-5-3-6-7(9)2-4-10-8(6)11;8-6-2-4-10-7-5(6)1-3-9-7;10-9-5-1-2-6-3-4-8-7(6)9;1-2-6-3-5-9-7(6)8-4-1/h5-8,12H,3-4,9-11H2,1-2H3;4-7,11H,2-3,8-10H2,1H3,(H,16,17);2-6H,1H3;8H,3-7,10H2,1-2H3;2-5H,1H3;1-4H,(H,9,10);1-5,10H;1-5H,(H,8,9) |
| InChIKey | UZVFFUCZQFKSJS-UHFFFAOYSA-N |
| XLogP | 15.58 |
| TPSA | 287.56 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 103 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1522.51 |
| LogP ≤ 5 | 15.58 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 18 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 4-bromo-1-methylpyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;ethyl 3-(aminomethyl)hexanoate;7-hydroxypyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-b]pyridine-4-carbaldehyde;1-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)methyl]-4-propylpyrrolidin-2-one;4-propyl-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)pyrrolidin-2-one;1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-bromo-1-methylpyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;ethyl 3-(aminomethyl)hexanoate;7-hydroxypyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-b]pyridine-4-carbaldehyde;1-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)methyl]-4-propylpyrrolidin-2-one;4-propyl-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)pyrrolidin-2-one;1H-pyrrolo[2,3-b]pyridine (CID 158087921) is 4-bromo-1-methylpyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;ethyl 3-(aminomethyl)hexanoate;7-hydroxypyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-b]pyridine-4-carbaldehyde;1-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)methyl]-4-propylpyrrolidin-2-one;4-propyl-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)pyrrolidin-2-one;1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-bromo-1-methylpyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;ethyl 3-(aminomethyl)hexanoate;7-hydroxypyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-b]pyridine-4-carbaldehyde;1-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)methyl]-4-propylpyrrolidin-2-one;4-propyl-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)pyrrolidin-2-one;1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-bromo-1-methylpyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;ethyl 3-(aminomethyl)hexanoate;7-hydroxypyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-b]pyridine-4-carbaldehyde;1-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)methyl]-4-propylpyrrolidin-2-one;4-propyl-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)pyrrolidin-2-one;1H-pyrrolo[2,3-b]pyridine is Brc1ccnc2[nH]ccc12.CCCC(CN)CC(=O)OCC.CCCC1CC(=O)N(Cc2ccnc3[nH]ccc23)C1.CCCC1CC(=O)N(Cc2ccnc3c2ccn3C)C1.Cn1ccc2c(Br)ccnc21.Cn1ccc2c(C=O)ccnc21.On1cccc2ccnc1-2.c1cnc2[nH]ccc2c1.
What is the InChIKey of 4-bromo-1-methylpyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;ethyl 3-(aminomethyl)hexanoate;7-hydroxypyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-b]pyridine-4-carbaldehyde;1-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)methyl]-4-propylpyrrolidin-2-one;4-propyl-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)pyrrolidin-2-one;1H-pyrrolo[2,3-b]pyridine?
The InChIKey is UZVFFUCZQFKSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O.C15H19N3O.C9H8N2O.C9H19NO2.C8H7BrN2.C7H5BrN2.C7H6N2O.C7H6N2/c1-3-4-12-9-15(20)19(10-12)11-13-5-7-17-16-14(13)6-8-18(16)2;1-2-3-11-8-14(19)18(9-11)10-12-4-6-16-15-13(12)5-7-17-15;1-11-5-3-8-7(6-12)2-4-10-9(8)11;1-3-5-8(7-10)6-9(11)12-4-2;1-11-5-3-6-7(9)2-4-10-8(6)11;8-6-2-4-10-7-5(6)1-3-9-7;10-9-5-1-2-6-3-4-8-7(6)9;1-2-6-3-5-9-7(6)8-4-1/h5-8,12H,3-4,9-11H2,1-2H3;4-7,11H,2-3,8-10H2,1H3,(H,16,17);2-6H,1H3;8H,3-7,10H2,1-2H3;2-5H,1H3;1-4H,(H,9,10);1-5,10H;1-5H,(H,8,9).
What are the key properties of 4-bromo-1-methylpyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;ethyl 3-(aminomethyl)hexanoate;7-hydroxypyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-b]pyridine-4-carbaldehyde;1-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)methyl]-4-propylpyrrolidin-2-one;4-propyl-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)pyrrolidin-2-one;1H-pyrrolo[2,3-b]pyridine?
4-bromo-1-methylpyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;ethyl 3-(aminomethyl)hexanoate;7-hydroxypyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-b]pyridine-4-carbaldehyde;1-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)methyl]-4-propylpyrrolidin-2-one;4-propyl-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)pyrrolidin-2-one;1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1522.51 g/mol, XLogP of 15.58, 15 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methylpyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;ethyl 3-(aminomethyl)hexanoate;7-hydroxypyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-b]pyridine-4-carbaldehyde;1-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)methyl]-4-propylpyrrolidin-2-one;4-propyl-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)pyrrolidin-2-one;1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 158087921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158087921 — identifiers, structure, computed properties (public domain)
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