2-Chloro-5-(trifluoromethyl)pyrazine - CAS 799557-87-2
Catalog: |
BB036437 |
Product Name: |
2-Chloro-5-(trifluoromethyl)pyrazine |
CAS: |
799557-87-2 |
Synonyms: |
2-chloro-5-(trifluoromethyl)pyrazine |
IUPAC Name: | 2-chloro-5-(trifluoromethyl)pyrazine |
Description: | 2-Chloro-5-(trifluoromethyl)pyrazine (CAS# 799557-87-2) is used in preparation of N-hydroxypyridine-2-carboxamide, N-hydroxypyridazine-3-carboxamide, and N-hydroxypyrimidine-2-carboxamide derivatives as dihydroceramide desaturase-1 inhibitors. |
Molecular Weight: | 182.53 |
Molecular Formula: | C5H2ClF3N2 |
Canonical SMILES: | C1=C(N=CC(=N1)Cl)C(F)(F)F |
InChI: | InChI=1S/C5H2ClF3N2/c6-4-2-10-3(1-11-4)5(7,8)9/h1-2H |
InChI Key: | AIEGIFIEQXZBCP-UHFFFAOYSA-N |
MDL: | MFCD13189478 |
LogP: | 2.14880 |
GHS Hazard Statement: | H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P316, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021123291-A1 | Oga inhibitor compounds | 20191218 |
WO-2021113478-A1 | Muscarinic receptor 4 antagonists and methods of use | 20191206 |
US-2021130342-A1 | Pyridazinones as parp7 inhibitors | 20191030 |
WO-2021087025-A1 | Pyridazinones as parp7 inhibitors | 20191030 |
CN-112457306-A | 3, 5-disubstituted pyrazole compounds as kinase inhibitors and application thereof | 20190906 |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.9858603 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.9858603 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 25.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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