3-Bromo-4-azaindole - CAS 23688-47-3
Catalog: |
BB018144 |
Product Name: |
3-Bromo-4-azaindole |
CAS: |
23688-47-3 |
Synonyms: |
3-bromo-1H-pyrrolo[3,2-b]pyridine; 3-bromo-1H-pyrrolo[3,2-b]pyridine |
IUPAC Name: | 3-bromo-1H-pyrrolo[3,2-b]pyridine |
Description: | 3-Bromo-4-azaindole (CAS# 23688-47-3) is a useful research chemical. |
Molecular Weight: | 197.03 |
Molecular Formula: | C7H5BrN2 |
Canonical SMILES: | C1=CC2=C(C(=CN2)Br)N=C1 |
InChI: | InChI=1S/C7H5BrN2/c8-5-4-10-6-2-1-3-9-7(5)6/h1-4,10H |
InChI Key: | IVNDTQPKDGOBDE-UHFFFAOYSA-N |
Boiling Point: | 346.3 °C at 760 mmHg |
Density: | 1.77 g/cm3 |
MDL: | MFCD10697525 |
LogP: | 2.32540 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021127333-A1 | Trpml modulators | 20191219 |
US-10961238-B2 | Modulators of hedgehog (Hh) signaling pathway | 20161026 |
US-10669242-B2 | Clostridium difficile toxin inhibitors | 20160610 |
US-2019194147-A1 | Novel Clostridium Difficile Toxin Inhibitors | 20160610 |
WO-2017214359-A1 | Novel clostridium difficile toxin inhibitors | 20160610 |
Complexity: | 129 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.96361 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.96361 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 28.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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