2-(Trifluoromethyl)pyridine-4-carboxylic acid - CAS 131747-41-6
Catalog: |
BB007479 |
Product Name: |
2-(Trifluoromethyl)pyridine-4-carboxylic acid |
CAS: |
131747-41-6 |
Synonyms: |
2-(trifluoromethyl)pyridine-4-carboxylic acid |
IUPAC Name: | 2-(trifluoromethyl)pyridine-4-carboxylic acid |
Description: | 2-(Trifluoromethyl)pyridine-4-carboxylic acid (CAS# 131747-41-6) is useful reactant for the preparation of RAF709 as selective RAF inhibitor targeting RAS mutant cancer. |
Molecular Weight: | 191.11 |
Molecular Formula: | C7H4F3NO2 |
Canonical SMILES: | C1=CN=C(C=C1C(=O)O)C(F)(F)F |
InChI: | InChI=1S/C7H4F3NO2/c8-7(9,10)5-3-4(6(12)13)1-2-11-5/h1-3H,(H,12,13) |
InChI Key: | BZFGKBQHQJVAHS-UHFFFAOYSA-N |
Boiling Point: | 263 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.484 g/cm3 |
Appearance: | Solid |
Storage: | Inert atmosphere, Room Temperature |
MDL: | MFCD07774132 |
LogP: | 1.79860 |
GHS Hazard Statement: | H302 (97.67%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021173930-A1 | Kcnt1 inhibitors and methods of use | 20200228 |
CN-113264945-A | Spiro derivative, preparation method and medical application thereof | 20200217 |
WO-2021110141-A1 | Biaryl compound as pan-raf kinase inhibitor | 20191206 |
WO-2021047627-A1 | Fused cyclic compound capable of degrading protein and use thereof | 20190912 |
US-2020347052-A1 | Inhibitors of raf kinases | 20190503 |
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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