6-(Trifluoromethyl)pyridine-3-carboxylic acid - CAS 231291-22-8
Catalog: |
BB017932 |
Product Name: |
6-(Trifluoromethyl)pyridine-3-carboxylic acid |
CAS: |
231291-22-8 |
Synonyms: |
6-(trifluoromethyl)pyridine-3-carboxylic acid |
IUPAC Name: | 6-(trifluoromethyl)pyridine-3-carboxylic acid |
Description: | 6-Trifluoromethyl Nicotinic Acid can be prepared to use Raf inhibitors to treat cancer. |
Molecular Weight: | 191.11 |
Molecular Formula: | C7H4F3NO2 |
Canonical SMILES: | C1=CC(=NC=C1C(=O)O)C(F)(F)F |
InChI: | InChI=1S/C7H4F3NO2/c8-7(9,10)5-2-1-4(3-11-5)6(12)13/h1-3H,(H,12,13) |
InChI Key: | JNYLMODTPLSLIF-UHFFFAOYSA-N |
Boiling Point: | 259.3 ℃ at 760 mmHg |
Melting Point: | 193-197 ℃ |
Purity: | 98 % |
Density: | 1.484 g/cm3 |
Appearance: | White solid |
MDL: | MFCD00792430 |
LogP: | 1.79860 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021188828-A1 | Compounds active towards nuclear receptors | 20191220 |
WO-2021124277-A1 | Compounds active towards nuclear receptors | 20191220 |
WO-2021104416-A1 | Compounds and methods for treating inflammatory bowel disease | 20191129 |
WO-2021080330-A1 | Nicotinamide compound and herbicidal composition comprising compound | 20191021 |
EP-3789378-A1 | Piperidines or piperidones substituted with urea and heteroaryl | 20190906 |
Complexity: | 204 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.01941286 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.01941286 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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