7-Bromo-1-chloroisoquinoline - CAS 215453-51-3
Catalog: |
BB016952 |
Product Name: |
7-Bromo-1-chloroisoquinoline |
CAS: |
215453-51-3 |
Synonyms: |
7-bromo-1-chloroisoquinoline; 7-bromo-1-chloroisoquinoline |
IUPAC Name: | 7-bromo-1-chloroisoquinoline |
Description: | 7-Bromo-1-chloroisoquinoline (CAS# 215453-51-3) is a useful research chemical. |
Molecular Weight: | 242.50 |
Molecular Formula: | C9H5BrClN |
Canonical SMILES: | C1=CC(=CC2=C1C=CN=C2Cl)Br |
InChI: | InChI=1S/C9H5BrClN/c10-7-2-1-6-3-4-12-9(11)8(6)5-7/h1-5H |
InChI Key: | UMSWWSIVPWVJOX-UHFFFAOYSA-N |
Boiling Point: | 349.5 °C at 760 mmHg |
Density: | 1.673 g/cm3 |
Appearance: | Solid |
MDL: | MFCD04039320 |
LogP: | 3.65070 |
GHS Hazard Statement: | H301 (88.37%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020239999-A1 | SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE | 20190531 |
US-2021300918-A1 | SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE | 20190531 |
AU-2017353315-A1 | (1,2,4)triazolo(1,5-a)pyrimidine compounds as PDE2 inhibitors | 20161102 |
CA-3038916-A1 | [1,2,4]triazolo[1,5-a]pyrimidine compounds as pde2 inhibitors | 20161102 |
EP-3535269-A1 | [1,2,4]triazolo[1,5-a]pyrimidine compounds as pde2 inhibitors | 20161102 |
PMID | Publication Date | Title | Journal |
21113170 | 20110101 | Selective irreversible inhibition of a protease by targeting a noncatalytic cysteine | Nature chemical biology |
Complexity: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.92939 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.92939 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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