3-Bromo-6-methylpyridazine - CAS 65202-58-6
Catalog: |
BB032661 |
Product Name: |
3-Bromo-6-methylpyridazine |
CAS: |
65202-58-6 |
Synonyms: |
3-bromo-6-methylpyridazine; 3-bromo-6-methylpyridazine |
IUPAC Name: | 3-bromo-6-methylpyridazine |
Description: | 3-Bromo-6-methylpyridazine (CAS# 65202-58-6) is used as a reagent in the synthesis of piperazinyl quinolines as chemosensitizers to increase fluconazole susceptibility of Candida albicans. 3-Bromo-6-methylpyridazine is also used in the preparation of cyclohexyl fluoropyrimidinyl benzamides as CNS penetrable P2X7 receptor antagonists. |
Molecular Weight: | 173.01 |
Molecular Formula: | C5H5BrN2 |
Canonical SMILES: | CC1=NN=C(C=C1)Br |
InChI: | InChI=1S/C5H5BrN2/c1-4-2-3-5(6)8-7-4/h2-3H,1H3 |
InChI Key: | RACIHBXDZONTQJ-UHFFFAOYSA-N |
Boiling Point: | 285.041 °C at 760 mmHg |
Density: | 1.597 g/cm3 |
MDL: | MFCD09831907 |
LogP: | 1.54750 |
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-2021130259-A1 | Dihydrocyclopenta-isoquinoline-sulfonamide derivatives compounds | 20191223 |
WO-2021099527-A1 | Pyrrolidine derivatives | 20191122 |
WO-2021070132-A1 | Bi-aryl dihydroorotate dehydrogenase inhibitors | 20191010 |
WO-2021057882-A1 | Egfr inhibitor, composition and preparation method therefor | 20190926 |
WO-2020051153-A1 | Muscarinic acetylcholine m1 receptor antagonists | 20180904 |
Complexity: | 76.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.96361 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.96361 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 25.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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