3-Fluoro-5-(trifluoromethyl)pyridine-2-carboxylic Acid - CAS 89402-28-8
Catalog: |
BB039471 |
Product Name: |
3-Fluoro-5-(trifluoromethyl)pyridine-2-carboxylic Acid |
CAS: |
89402-28-8 |
Synonyms: |
3-fluoro-5-(trifluoromethyl)-2-pyridinecarboxylic acid; 3-fluoro-5-(trifluoromethyl)pyridine-2-carboxylic acid |
IUPAC Name: | 3-fluoro-5-(trifluoromethyl)pyridine-2-carboxylic acid |
Description: | 3-Fluoro-5-(trifluoromethyl)pyridine-2-carboxylic Acid (CAS# 89402-28-8) is a useful research chemical. |
Molecular Weight: | 209.10 |
Molecular Formula: | C7H3F4NO2 |
Canonical SMILES: | C1=C(C=NC(=C1F)C(=O)O)C(F)(F)F |
InChI: | InChI=1S/C7H3F4NO2/c8-4-1-3(7(9,10)11)2-12-5(4)6(13)14/h1-2H,(H,13,14) |
InChI Key: | CRZWUUUZTIMHML-UHFFFAOYSA-N |
Boiling Point: | 244.7 ℃ at 760 mmHg |
Density: | 1.573 g/cm3 |
MDL: | MFCD11100535 |
LogP: | 1.93770 |
Publication Number | Title | Priority Date |
WO-2020146682-A1 | Carboxamides as modulators of sodium channels | 20190110 |
AU-2018339068-A1 | Combination pharmaceutical agents as RSV inhibitors | 20170929 |
CA-3077309-A1 | Combination pharmaceutical agents as rsv inhibitors | 20170929 |
TW-201919640-A | Combination agent as an RSV inhibitor | 20170929 |
US-2019192535-A1 | Combination pharmaceutical agents as rsv inhibitors | 20170929 |
Complexity: | 230 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.00999099 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.00999099 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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