| CAS Number | 1344054-57-4 |
| Catalog Number | AG01A665(AGN-PC-0WO14Z) |
| Chemical Name | 2-(chloromethyl)-7-methyl-3H-imidazo[4,5-b]pyridine |
| IUPAC Name | 2-(chloromethyl)-7-methyl-1H-imidazo[4,5-b]pyridine |
| InChI | InChI=1S/C8H8ClN3/c1-5-2-3-10-8-7(5)11-6(4-9)12-8/h2-3H,4H2,1H3,(H,10,11,12) |
| InChI Key | KULXPKBJZDJBDZ-UHFFFAOYSA-N |
| MDL Number | MFCD18872396 |
| Molecular Formula | C8H8ClN3 |
| Molecular Weight | 181.6222 |
| SMILES | CC1=C2C(NC(=N2)CCl)=NC=C1 |
| Synonyms | 2-(chloromethyl)-7-methyl-3H-imidazo[4,5-b]pyridine,
1344054-57-4,
ZINC82563695,
AKOS013033458,
NE24253,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.623g/mol |
| Monoisotopic Mass | 181.041g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number