6-Bromo-1H-indole-2-carbaldehyde - CAS 105191-12-6
Catalog: |
BB001571 |
Product Name: |
6-Bromo-1H-indole-2-carbaldehyde |
CAS: |
105191-12-6 |
Synonyms: |
6-bromo-1H-indole-2-carboxaldehyde; 6-bromo-1H-indole-2-carbaldehyde |
IUPAC Name: | 6-bromo-1H-indole-2-carbaldehyde |
Description: | 6-Bromo-1H-indole-2-carbaldehyde (CAS# 105191-12-6) is used as a reactant in the optimization of bis-indole pyruvate kinase inhibitors as potential therapeutics for the methicillin-resistant Staphylococcus aureus infection treatment. |
Molecular Weight: | 224.05 |
Molecular Formula: | C9H6BrNO |
Canonical SMILES: | C1=CC2=C(C=C1Br)NC(=C2)C=O |
InChI: | InChI=1S/C9H6BrNO/c10-7-2-1-6-3-8(5-12)11-9(6)4-7/h1-5,11H |
InChI Key: | IGZHNWFLHSANSN-UHFFFAOYSA-N |
Boiling Point: | 395.55 °C at 760 mmHg |
Density: | 1.727 g/cm3 |
Appearance: | Solid |
MDL: | MFCD06738308 |
LogP: | 2.74290 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021111124-A1 | Polyheterocyclic compounds as mettl3 inhibitors | 20191202 |
WO-2021018023-A1 | Small molecule glp-1 receptor modulator | 20190801 |
US-2020197391-A1 | Compounds that participate in cooperative binding and uses thereof | 20181221 |
WO-2020132597-A1 | Compounds that participate in cooperative binding and uses thereof | 20181221 |
TW-202039509-A | Compounds that participate in cooperative binding and uses thereof | 20181221 |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.96328 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.96328 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 32.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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