6-(Trifluoromethoxy)nicotinic Acid - CAS 940895-85-2
Catalog: |
BB041189 |
Product Name: |
6-(Trifluoromethoxy)nicotinic Acid |
CAS: |
940895-85-2 |
Synonyms: |
6-(trifluoromethoxy)-3-pyridinecarboxylic acid; 6-(trifluoromethoxy)pyridine-3-carboxylic acid |
IUPAC Name: | 6-(trifluoromethoxy)pyridine-3-carboxylic acid |
Description: | 6-(Trifluoromethoxy)nicotinic Acid (CAS# 940895-85-2) is a useful research chemical. |
Molecular Weight: | 207.11 |
Molecular Formula: | C7H4F3NO3 |
Canonical SMILES: | C1=CC(=NC=C1C(=O)O)OC(F)(F)F |
InChI: | InChI=1S/C7H4F3NO3/c8-7(9,10)14-5-2-1-4(3-11-5)6(12)13/h1-3H,(H,12,13) |
InChI Key: | NNYMJNIRFKFWIW-UHFFFAOYSA-N |
LogP: | 1.67840 |
Publication Number | Title | Priority Date |
WO-2020223536-A1 | Substituted cyclolakyls as modulators of the integrated stress pathway | 20190430 |
TW-202106671-A | Modulators of the integrated stress pathway | 20190430 |
WO-2019170543-A1 | Identification and use of erk5 inhibitors | 20180307 |
AU-2019232437-A1 | Identification and use of ERK5 inhibitors | 20180307 |
EP-3762379-A1 | Identification and use of erk5 inhibitors | 20180307 |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.01432748 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.01432748 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 59.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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