2-Chloro-4-methoxy-3-(trifluoromethyl)pyridine - CAS 1163693-02-4
Catalog: |
BB069302 |
Product Name: |
2-Chloro-4-methoxy-3-(trifluoromethyl)pyridine |
CAS: |
1163693-02-4 |
Synonyms: |
2-chloro-4-methoxy-3-(trifluoromethyl)pyridine |
IUPAC Name: | 2-chloro-4-methoxy-3-(trifluoromethyl)pyridine |
Description: | 2-Chloro-4-methoxy-3-(trifluoromethyl)pyridine is a reagent used in the synthesis of novel HCV NS5B thumb pocket 2 allosteric inhibitors used in the treatment of hepatitis C. |
Molecular Weight: | 211.57 |
Molecular Formula: | C7H5ClF3NO |
Canonical SMILES: | COC1=C(C(=NC=C1)Cl)C(F)(F)F |
InChI: | InChI=1S/C7H5ClF3NO/c1-13-4-2-3-12-6(8)5(4)7(9,10)11/h2-3H,1H3 |
InChI Key: | ZNFGHPBRWYMFNC-UHFFFAOYSA-N |
References: | Beaulieu, P. et al. Bioorg. Med. Chem., Lett., 23, 4132 (2013). |
Complexity: | 176 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.001176 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.001176 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 22.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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