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5-bromo-4-methyl-1H-pyrrolo[2,3-b]pyridine
5-Bromo-4-methyl-7-zazindole · 5-BroMo-4-Methyl-7-azaindole · 5-Bromo-4-methyl-1H-pyrrolo[2,3-b]pyridine · 1H-Pyrrolo[2,3-b]pyridine, 5-broMo-4-Methyl- · 5-bromo-4-methyl-1H-pyrrolo[2,3-b]pyridine 95%
![Molekülstruktur von 5-bromo-4-methyl-1H-pyrrolo[2,3-b]pyridine](/img/chemical/40152257.png)
Identifikatoren & physikalische Daten
| CAS No. | 1150617-52-9 |
|---|---|
| Summenformel | C8H7BrN2 |
| Durchschnittliche Molmasse | 211,06 g/mol |
| Monoisotopische Masse | 209,97926 g/mol |
| SMILES | Cc1c(Br)cnc2[nH]ccc12 |
| InChIKey | NWINRLXRPPSXIY-UHFFFAOYSA-N |
| PubChem CID | 40152257 |
| EC No. | 888-385-9 |
| DTXSID | DTXSID30654010 |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 28,7 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 151 |
| Dichte | 1.654 |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 13.28±0.40(Predicted) |
| InChI | InChI=1S/C8H7BrN2/c1-5-6-2-3-10-8(6)11-4-7(5)9/h2-4H,1H3,(H,10,11) |
| InChIKey | NWINRLXRPPSXIY-UHFFFAOYSA-N |
| SMILES | C12NC=CC1=C(C)C(Br)=CN=2 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315 |
Anwendungen & Verwendung
Verwenden
5-bromo-4-methyl-1H-pyrrolo[2,3-b]pyridine is a pyridine analogue used as a pharmaceutical intermediate for the preparation of small molecule inhibitors.