2-Hydroxy-4-(trifluoromethyl)pyridine - CAS 50650-59-4
Catalog: |
BB027168 |
Product Name: |
2-Hydroxy-4-(trifluoromethyl)pyridine |
CAS: |
50650-59-4 |
Synonyms: |
4-(trifluoromethyl)-1H-pyridin-2-one |
IUPAC Name: | 4-(trifluoromethyl)-1H-pyridin-2-one |
Description: | 2-Hydroxy-4-(trifluoromethyl)pyridine (CAS# 50650-59-4) is used in the synthesis of sphingosine phosphate receptor selective allosteric agonists. The sphingosine phosphate receptor remains important in a multitude of biological processes including tumor cell survival and fibroblast chemotaxis. |
Molecular Weight: | 163.10 |
Molecular Formula: | C6H4F3NO |
Canonical SMILES: | C1=CNC(=O)C=C1C(F)(F)F |
InChI: | InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-10-5(11)3-4/h1-3H,(H,10,11) |
InChI Key: | IKHLLNMSMFVTLP-UHFFFAOYSA-N |
Boiling Point: | 221.2 ℃ at 760 mmHg |
Melting Point: | 161-165 ℃ |
Purity: | 95 % |
Density: | 1.398 g/cm3 |
MDL: | MFCD00153195 |
LogP: | 1.80600 |
GHS Hazard Statement: | H302 (96.1%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113292487-A | Preparation method of pyroxsulam intermediate | 20210606 |
WO-2021026672-A1 | Heterocyclic wdr5 inhibitors as anti-cancer compounds | 20190809 |
WO-2021028806-A1 | Heterocyclic wdr5 inhibitors as anti-cancer compounds | 20190809 |
WO-2020139734-A1 | Preparation of sulfonamide herbicide process intermediates | 20181227 |
CN-113272277-A | Sulfonamide herbicide process intermediates preparation | 20181227 |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.02449824 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.02449824 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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Pyridines
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