2,4-Dichloro-5-nitro-6-(trifluoromethyl)pyrimidine - CAS 715-42-4
Catalog: |
BB055948 |
Product Name: |
2,4-Dichloro-5-nitro-6-(trifluoromethyl)pyrimidine |
CAS: |
715-42-4 |
Synonyms: |
2,4-dichloro-5-nitro-6-(trifluoromethyl)pyrimidine |
IUPAC Name: | 2,4-dichloro-5-nitro-6-(trifluoromethyl)pyrimidine |
Description: | 2,4-Dichloro-5-nitro-6-(trifluoromethyl)pyrimidine is used in preparation of Spiroheterocycl-dihydropteridinones as modulators of γ-secretase for treating Alzheimer's disease. |
Molecular Weight: | 261.97 |
Molecular Formula: | C5Cl2F3N3O2 |
Canonical SMILES: | C1(=C(N=C(N=C1Cl)Cl)C(F)(F)F)[N+](=O)[O-] |
InChI: | InChI=1S/C5Cl2F3N3O2/c6-3-1(13(14)15)2(5(8,9)10)11-4(7)12-3 |
InChI Key: | KFEPQCLLGVHBTQ-UHFFFAOYSA-N |
References: | Eickmeier, C., et al. U.S. Pat. Appl. Publ., (2013). |
Complexity: | 259 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 260.9319661 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 260.9319661 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 71.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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