3-(Trifluoromethyl)pyridine-2-carboxylic acid - CAS 87407-12-3
Catalog: |
BB038426 |
Product Name: |
3-(Trifluoromethyl)pyridine-2-carboxylic acid |
CAS: |
87407-12-3 |
Synonyms: |
3-(trifluoromethyl)pyridine-2-carboxylic acid |
IUPAC Name: | 3-(trifluoromethyl)pyridine-2-carboxylic acid |
Description: | Picolinic acid (P437220) derivative used in the synthesis of oxazine derivatives that act as BACE inhibitors for treatment of diabetes and neurological disorders. |
Molecular Weight: | 191.11 |
Molecular Formula: | C7H4F3NO2 |
Canonical SMILES: | C1=CC(=C(N=C1)C(=O)O)C(F)(F)F |
InChI: | InChI=1S/C7H4F3NO2/c8-7(9,10)4-2-1-3-11-5(4)6(12)13/h1-3H,(H,12,13) |
InChI Key: | DMWLBOPLZYJGPT-UHFFFAOYSA-N |
Boiling Point: | 274.4 ℃ at 760 mmHg |
Density: | 1.484 g/cm3 |
MDL: | MFCD07375386 |
LogP: | 1.79860 |
GHS Hazard Statement: | H301 (95.12%): 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 |
CN-112441966-A | Method for producing 2-chloro-3-trifluoromethylpyridine from 2,3, 6-trichloro-5-trifluoromethylpyridine | 20201209 |
CN-112159350-A | Preparation method of 2-chloro-3-trifluoromethylpyridine | 20201015 |
CN-111162313-A | Polymer electrolyte and lithium ion battery | 20191223 |
CN-110526863-A | The acylthioureas and acyl group carbamide derivative of a kind of trifluoromethyl pyridine and its application | 20190829 |
WO-2021032687-A1 | Antimalarial hexahydropyrimidine analogues | 20190819 |
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: | 1.6 |
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Carbonyl Compounds
Pyridines
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