3-Chloro-5-(trifluoromethyl)-2-pyridinol - CAS 76041-71-9
Catalog: |
BB035481 |
Product Name: |
3-Chloro-5-(trifluoromethyl)-2-pyridinol |
CAS: |
76041-71-9 |
Synonyms: |
3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one |
IUPAC Name: | 3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one |
Description: | 3-Chloro-5-(trifluoromethyl)-2-pyridinol (CAS# 76041-71-9) is a useful research chemical. |
Molecular Weight: | 197.54 |
Molecular Formula: | C6H3ClF3NO |
Canonical SMILES: | C1=C(C(=O)NC=C1C(F)(F)F)Cl |
InChI: | InChI=1S/C6H3ClF3NO/c7-4-1-3(6(8,9)10)2-11-5(4)12/h1-2H,(H,11,12) |
InChI Key: | AJPOOWWMZOPUCG-UHFFFAOYSA-N |
Boiling Point: | 143.5 °C at 760 mmHg |
Melting Point: | 159-161 °C (lit.) |
Purity: | 95 % |
Density: | 1.43 g/cm3 |
Appearance: | White to beige powder |
MDL: | MFCD00153095 |
LogP: | 2.45940 |
GHS Hazard Statement: | H300 (90.48%): Fatal 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-110003100-A | A kind of preparation method of fluorine-containing pyridine compounds and their | 20190430 |
CN-107840828-B | Synthesis method of 2-chloro-5-trifluoromethylpyrazine | 20171214 |
CN-107759511-A | A kind of production method of the trifluoromethyl pyridine of 2 chlorine 5 of high-purity | 20171027 |
AU-2018246053-A1 | IP6K inhibitors | 20170330 |
CA-3057821-A1 | Ip6k inhibitors | 20170330 |
Complexity: | 279 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.9855259 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.9855259 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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Pyridines
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