CAS Registry Number: 68700-92-5

Name:

Pyridine, 2-​chloro-​5-​(1-​methylethenyl)​-
2-​Chloro-​5-​isopropenylpyridine 

Chemical Formula: C8H8ClN
Exact Mass: 153.03
Molecular Weight: 153.61
m/z: 153.03 (100.0%), 155.03 (32.0%), 154.04 (8.7%), 156.03 (2.9%)
Elemental Analysis: C, 62.55; H, 5.25; Cl, 23.08; N, 9.12

InChI: InChI=1S/C8H8ClN/c1-6(2)7-3-4-8(9)10-5-7/h3-5H,1H2,2H3
InChIKey: QZBFXTKTUZYMRW-UHFFFAOYSA-N
Canonical SMILES : CC(=C)C1=CN=C(C=C1)Cl

Specification

98%

1. (1) Tilley, Jefferson W.; Journal of Medicinal Chemistry 1980, V23(1), P92-5 CAPLUS
2. (2) Miller-Moslin, Karen; Journal of Medicinal Chemistry 2009, V52(13), P3954-3968 CAPLUS