5-(Trifluoromethoxy)pyridine-2-carboxylic Acid - CAS 102771-66-4
Catalog: |
BB000944 |
Product Name: |
5-(Trifluoromethoxy)pyridine-2-carboxylic Acid |
CAS: |
102771-66-4 |
Synonyms: |
5-(trifluoromethoxy)-2-pyridinecarboxylic acid; 5-(trifluoromethoxy)pyridine-2-carboxylic acid |
IUPAC Name: | 5-(trifluoromethoxy)pyridine-2-carboxylic acid |
Description: | 5-(Trifluoromethoxy)pyridine-2-carboxylic Acid (CAS# 102771-66-4) is used as a reactant in the preparation of carboxamides as modulators of the integrated stress pathway. |
Molecular Weight: | 207.11 |
Molecular Formula: | C7H4F3NO3 |
Canonical SMILES: | C1=CC(=NC=C1OC(F)(F)F)C(=O)O |
InChI: | InChI=1S/C7H4F3NO3/c8-7(9,10)14-4-1-2-5(6(12)13)11-3-4/h1-3H,(H,12,13) |
InChI Key: | GBEFAEXUUBIUIK-UHFFFAOYSA-N |
LogP: | 1.67840 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021032687-A1 | Antimalarial hexahydropyrimidine analogues | 20190819 |
WO-2020223536-A1 | Substituted cyclolakyls as modulators of the integrated stress pathway | 20190430 |
TW-202106671-A | Modulators of the integrated stress pathway | 20190430 |
TW-202039528-A | Neuroactive steroids and their methods of use | 20181205 |
US-2020102311-A1 | Monoacylglycerol Lipase Modulators | 20180928 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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