3-Fluoro-5-(trifluoromethyl)pyridine-2-carbonitrile - CAS 80194-71-4
Catalog: |
BB036475 |
Product Name: |
3-Fluoro-5-(trifluoromethyl)pyridine-2-carbonitrile |
CAS: |
80194-71-4 |
Synonyms: |
3-fluoro-5-(trifluoromethyl)-2-pyridinecarbonitrile; 3-fluoro-5-(trifluoromethyl)pyridine-2-carbonitrile |
IUPAC Name: | 3-fluoro-5-(trifluoromethyl)pyridine-2-carbonitrile |
Description: | 3-Fluoro-5-(trifluoromethyl)pyridine-2-carbonitrile (CAS# 80194-71-4) is a useful research chemical. |
Molecular Weight: | 190.10 |
Molecular Formula: | C7H2F4N2 |
Canonical SMILES: | C1=C(C=NC(=C1F)C#N)C(F)(F)F |
InChI: | InChI=1S/C7H2F4N2/c8-5-1-4(7(9,10)11)3-13-6(5)2-12/h1,3H |
InChI Key: | APIYAXCKQVOAAR-UHFFFAOYSA-N |
Boiling Point: | 208.5 °C at 760 mmHg |
Density: | 1.46 g/cm3 |
MDL: | MFCD11848039 |
LogP: | 2.11118 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112390748-A | Preparation method of 2-cyano-3-fluoro-5-trifluoromethylpyridine | 20201103 |
WO-2019203951-A1 | Selective potassium channel agonists | 20180420 |
US-2021238129-A1 | Selective potassium channel agonists | 20180420 |
US-2015152063-A1 | Indazole guanidine f1f0-atpase inhibitors and therapeutic uses thereof | 20120608 |
US-9920012-B2 | Indazole guanidine F1F0-ATPase inhibitors and therapeutic uses thereof | 20120608 |
Complexity: | 228 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.01541072 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.01541072 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 36.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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