6-Chloro-2-(6-methylpyridin-3-yl)-3-(4-(methylsulfonyl)phenyl)-1,8-naphthyridine (Etoricoxib Impurity)
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Product Code | F988626 |
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Product Name | 6-Chloro-2-(6-methylpyridin-3-yl)-3-(4-(methylsulfonyl)phenyl)-1,8-naphthyridine (Etoricoxib Impurity) |
Other Names | 6-CHLORO-2-(6-METHYLPYRIDIN-3-YL)-3-(4-(METHYLSULFONYL)PHENYL)-1,8-NAPHTHYRIDINE |
CAS | 646459-41-8 |
Purity | 97% |
Molecular weight | 409.89 |
IUPAC Name | 6-chloro-3-(4-methanesulfonylphenyl)-2-(6-methylpyridin-3-yl)-1,8-naphthyridine |
SMILES | CC1=CC=C(C=N1)C1=NC2=NC=C(Cl)C=C2C=C1C1=CC=C(C=C1)S(C)(=O)=O |
INCHI Code | InChI=1S/C21H16ClN3O2S/c1-13-3-4-15(11-23-13)20-19(10-16-9-17(22)12-24-21(16)25-20)14-5-7-18(8-6-14)28(2,26)27/h3-12H,1-2H3 |
Asymmetric atoms | 0 |
LogP | 3.2765846 |
H bond acceptors | 5 |
H bond donors | 0 |
fsp3 | 0.0952381 |
Concept Codes | Halopyridine, Alkyne, Phenyl, Heterocycle, Heteroaromatic, Sulfone, Chloro, Halo, Methyl, 6-Membered heteroaromatic, 6-Membered heterocycle, Pyridine, Cyclic, Aromatic, 1,8-Naphthyridine, Naphthyridine |