3-Bromo-4-methoxy-5-nitropyridine - CAS 31872-76-1
Catalog: |
BB021082 |
Product Name: |
3-Bromo-4-methoxy-5-nitropyridine |
CAS: |
31872-76-1 |
Synonyms: |
3-bromo-4-methoxy-5-nitropyridine; 3-bromo-4-methoxy-5-nitropyridine |
IUPAC Name: | 3-bromo-4-methoxy-5-nitropyridine |
Description: | 3-Bromo-4-methoxy-5-nitropyridine (CAS# 31872-76-1) is a useful research chemical. |
Molecular Weight: | 233.02 |
Molecular Formula: | C6H5BrN2O3 |
Canonical SMILES: | COC1=C(C=NC=C1[N+](=O)[O-])Br |
InChI: | InChI=1S/C6H5BrN2O3/c1-12-6-4(7)2-8-3-5(6)9(10)11/h2-3H,1H3 |
InChI Key: | UIQZXGXNJIZTOQ-UHFFFAOYSA-N |
LogP: | 2.28410 |
Publication Number | Title | Priority Date |
AU-2018243770-A1 | Isoquinolines as inhibitors of HPK1 | 20170330 |
BR-112019019555-A2 | compound of formula i, pharmaceutical composition, hpk1 inhibition method, method for improving an immune response, method for treating a disorder and use of the compound | 20170330 |
CN-110709392-A | Isoquinoline as HPK1 inhibitors | 20170330 |
EP-3601259-A1 | Isoquinolines as inhibitors of hpk1 | 20170330 |
JP-2020515603-A | Isoquinoline as HPK1 inhibitor | 20170330 |
Complexity: | 173 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.94835 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.94835 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 67.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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Related Functional Groups
Pyridines
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