1-[5-Chloro-4-(trifluoromethyl)-2-pyridinyl]ethanone - CAS 1256821-90-5
Catalog: |
BB069704 |
Product Name: |
1-[5-Chloro-4-(trifluoromethyl)-2-pyridinyl]ethanone |
CAS: |
1256821-90-5 |
Synonyms: |
1-(5-Chloro-4-(trifluoromethyl)pyridin-2-yl)ethanone |
IUPAC Name: | 1-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]ethanone |
Description: | 1-[5-Chloro-4-(trifluoromethyl)-2-pyridinyl]ethanone is a derivative of 3-Chloropyridine (C380610), an organic building block used for the synthesis of various chemical compounds and can undergo BF3-directed lithiation. |
Molecular Weight: | 223.58 |
Molecular Formula: | C8H5ClF3NO |
Canonical SMILES: | CC(=O)C1=NC=C(C(=C1)C(F)(F)F)Cl |
InChI: | InChI=1S/C8H5ClF3NO/c1-4(14)7-2-5(8(10,11)12)6(9)3-13-7/h2-3H,1H3 |
InChI Key: | KXDJDXDDXJPIKZ-UHFFFAOYSA-N |
References: | Dhau, J. S., et al. Tetrahedron, 69 (48), 10284 (2013). |
Complexity: | 231 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.001176 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.001176 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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