5-Bromo-2-chloroisonicotinaldehyde - CAS 1060802-23-4
Catalog: |
BB001773 |
Product Name: |
5-Bromo-2-chloroisonicotinaldehyde |
CAS: |
1060802-23-4 |
Synonyms: |
5-bromo-2-chloro-4-pyridinecarboxaldehyde; 5-bromo-2-chloropyridine-4-carbaldehyde |
IUPAC Name: | 5-bromo-2-chloropyridine-4-carbaldehyde |
Description: | 5-Bromo-2-chloroisonicotinaldehyde (CAS# 1060802-23-4) is a useful research chemical. |
Molecular Weight: | 220.451 |
Molecular Formula: | C6H3BrClNO |
Canonical SMILES: | C1=C(C(=CN=C1Cl)Br)C=O |
InChI: | InChI=1S/C6H3BrClNO/c7-5-2-9-6(8)1-4(5)3-10/h1-3H |
InChI Key: | MAGFXBKNQAAQQA-UHFFFAOYSA-N |
Purity: | 0.98 |
Appearance: | Solid |
Storage: | Keep in dark place, Inert atmosphere, 2-8 ℃ |
MDL: | MFCD11847346 |
LogP: | 2.31 |
GHS Hazard Statement: | H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2019201291-A1 | Histone acetyltransferase (hat) inhibitor and use thereof | 20180420 |
EP-3782995-A1 | Histone acetyltransferase (hat) inhibitor and use thereof | 20180420 |
AU-2018388404-A1 | Aminopyridine derivatives as phosphatidylinositol phosphate kinase inhibitors | 20171222 |
AU-2018392816-A1 | Chromenopyridine derivatives as phosphatidylinositol phosphate kinase inhibitors | 20171222 |
WO-2019126730-A1 | Chromenopyridine derivatives as phosphatidylinositol phosphate kinase inhibitors | 20171222 |
Complexity: | 133 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.90865 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.90865 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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