2-(Difluoromethyl)-5-(6-methylpyridin-3-yl)-1,3,4-oxadiazole - CAS 2071232-29-4
Catalog: |
BB068611 |
Product Name: |
2-(Difluoromethyl)-5-(6-methylpyridin-3-yl)-1,3,4-oxadiazole |
CAS: |
2071232-29-4 |
Synonyms: |
5- [5- (Difluoromethyl) - 1, 3, 4- oxadiazol- 2- yl] - 2- methyl-pyridine |
IUPAC Name: | 2-(difluoromethyl)-5-(6-methylpyridin-3-yl)-1,3,4-oxadiazole |
Description: | 2-(Difluoromethyl)-5-(6-methylpyridin-3-yl)-1,3,4-oxadiazole is used as a reactant in the preparation of oxadiazole sulfonamide derivatives as HDAC6 inhibitors. |
Molecular Weight: | 211.17 |
Molecular Formula: | C9H7F2N3O |
Canonical SMILES: | CC1=NC=C(C=C1)C2=NN=C(O2)C(F)F |
InChI: | InChI=1S/C9H7F2N3O/c1-5-2-3-6(4-12-5)8-13-14-9(15-8)7(10)11/h2-4,7H,1H3 |
InChI Key: | UTUWFSYPLJSNJY-UHFFFAOYSA-N |
References: | Lee, J., et al. PCT Int. Appl. (2017), WO 2017018803 A1. |
Complexity: | 218 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.05571818 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.05571818 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 51.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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