2-Hydroxy-5-(trifluoromethyl)pyridine - CAS 33252-63-0
Catalog: |
BB021636 |
Product Name: |
2-Hydroxy-5-(trifluoromethyl)pyridine |
CAS: |
33252-63-0 |
Synonyms: |
5-(trifluoromethyl)-1H-pyridin-2-one |
IUPAC Name: | 5-(trifluoromethyl)-1H-pyridin-2-one |
Description: | 2-Hydroxy-5-(trifluoromethyl)pyridine (CAS# 33252-63-0) is a compound useful in organic synthesis. |
Molecular Weight: | 163.10 |
Molecular Formula: | C6H4F3NO |
Canonical SMILES: | C1=CC(=O)NC=C1C(F)(F)F |
InChI: | InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11) |
InChI Key: | BYRJSCNPUHYZQE-UHFFFAOYSA-N |
Boiling Point: | 286.815 °C at 760 mmHg |
Melting Point: | 145-149 °C |
Purity: | 98 % |
Density: | 1.423 g/cm3 |
Appearance: | Yellow to brown powder |
MDL: | MFCD00042315 |
LogP: | 1.80600 |
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 |
CN-112851485-A | Preparation method of ticagrelor key intermediate | 20210115 |
CN-111170932-A | Preparation method of 2-aminomethyl-5-trifluoromethyl pyridine salt | 20200113 |
WO-2020113554-A1 | Quinoline derivative and preparation method and application thereof | 20181207 |
KR-20210087961-A | Quinoline derivatives as alpha4beta7 integrin inhibitors | 20181030 |
TW-202016118-A | OGA inhibitor compounds | 20180620 |
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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