3-Hydroxy-5-(trifluoromethyl)pyridine - CAS 186593-14-6
Catalog: |
BB014346 |
Product Name: |
3-Hydroxy-5-(trifluoromethyl)pyridine |
CAS: |
186593-14-6 |
Synonyms: |
5-(trifluoromethyl)-3-pyridinol; 5-(trifluoromethyl)pyridin-3-ol |
IUPAC Name: | 5-(trifluoromethyl)pyridin-3-ol |
Description: | 3-Hydroxy-5-(trifluoromethyl)pyridine (CAS# 186593-14-6) is used in preparation of tricyclic dihydroimidazopyrimidone derivative as as lipoprotein-associated phospholipase A2 inhibitor. |
Molecular Weight: | 163.10 |
Molecular Formula: | C6H4F3NO |
Canonical SMILES: | C1=C(C=NC=C1O)C(F)(F)F |
InChI: | InChI=1S/C6H4F3NO/c7-6(8,9)4-1-5(11)3-10-2-4/h1-3,11H |
InChI Key: | YUUZFMWMDPHTQS-UHFFFAOYSA-N |
MDL: | MFCD10697687 |
LogP: | 1.80600 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020162471-A1 | Pyridone derivative | 20190208 |
TW-202010744-A | Pteridinone compounds and uses thereof | 20180424 |
US-2019322673-A1 | Pteridinone compounds and uses thereof | 20180424 |
WO-2019209757-A1 | Pteridinone compounds and uses thereof | 20180424 |
AU-2019257651-A1 | Pteridinone compounds and uses thereof | 20180424 |
Complexity: | 136 |
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: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.02449824 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 33.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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Pyridines
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