CI-953 free base
1-(2-chloro-6-methylphenyl)-3-pyridin-4-ylurea
Also Known As: CI-953 free base|N-(2-Chloro-6-methylphenyl)-N'-4-pyridinylurea|ACMC-1BYCY|Urea, N-(2-chloro-6-methylphenyl)-N'-4-pyridinyl-|1-(2-Chloro-6-methylphenyl)-3-(pyridin-4-yl)urea|CI-953|1-(2-chloro-6-methylphenyl)-3-pyridin-4-ylurea|CS-7118|3-(2-chloro-6-methylphenyl)-1-(pyridin-4-yl)urea|Urea, N-(2-chloro-6-methylphenyl)-N//'-4-pyridinyl-|1-(2-chloro-6-methyl-phenyl)-3-(4-pyridyl)urea|1-(2-chloro-6-methyl-phenyl)-3-pyridin-4-yl-urea|Urea, N-(2-chloro-6-methylphenyl)-N/'-4-pyridinyl-|1-[(2-Chloro-6-methylphenyl)]-3-(pyridin-4-yl)urea|N-(2-CHLORO-6-METHYLPHENYL)-N'-(PYRIDIN-4-YL)UREA
| Molecular Formula | C13H12ClN3O |
|---|---|
| Molecular Weight | 261.0669 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.0669 |
| Monoisotopic Mass | 261.0669 |
| Heavy Atoms | 18 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 97627-24-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)Cl)NC(=O)NC2=CC=NC=C2 |
| InChIKey | ZSBWDKCIIZYQIR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CI-953 free base (CAS 97627-24-2), with molecular formula C13H12ClN3O and molecular weight 261.0669 g/mol. IUPAC: 1-(2-chloro-6-methylphenyl)-3-pyridin-4-ylurea.