6-Methoxy-5-(trifluoromethyl)nicotinonitrile - CAS 887707-29-1
Catalog: |
BB039199 |
Product Name: |
6-Methoxy-5-(trifluoromethyl)nicotinonitrile |
CAS: |
887707-29-1 |
Synonyms: |
6-methoxy-5-(trifluoromethyl)-3-pyridinecarbonitrile; 6-methoxy-5-(trifluoromethyl)pyridine-3-carbonitrile |
IUPAC Name: | 6-methoxy-5-(trifluoromethyl)pyridine-3-carbonitrile |
Description: | 6-Methoxy-5-(trifluoromethyl)nicotinonitrile (CAS# 887707-29-1) is a useful research chemical. |
Molecular Weight: | 202.13 |
Molecular Formula: | C8H5F3N2O |
Canonical SMILES: | COC1=C(C=C(C=N1)C#N)C(F)(F)F |
InChI: | InChI=1S/C8H5F3N2O/c1-14-7-6(8(9,10)11)2-5(3-12)4-13-7/h2,4H,1H3 |
InChI Key: | LMODEHOSNLUKSK-UHFFFAOYSA-N |
LogP: | 1.98068 |
Publication Number | Title | Priority Date |
AU-2010251948-A1 | Substituted aminobutyric derivatives as neprilysin inhibitors | 20090528 |
CA-2763565-A1 | Substituted aminobutyric derivatives as neprilysin inhibitors | 20090528 |
EP-2435402-A2 | Substituted aminobutyric derivatives as neprilysin inhibitors | 20090528 |
EP-2435402-B1 | Substituted aminobutyric derivatives as neprilysin inhibitors | 20090528 |
EP-3048100-A1 | Substituted aminobutyric derivatives as neprilysin inhibitors | 20090528 |
Complexity: | 245 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.03539727 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.03539727 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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