| CAS Number | 893566-54-6 |
| Catalog Number | AG01FMNC(AGN-PC-3H5MP2) |
| Chemical Name | 3-Bromo-4-methyl-1,8-naphthyridine |
| IUPAC Name | 3-bromo-4-methyl-1,8-naphthyridine |
| InChI | InChI=1S/C9H7BrN2/c1-6-7-3-2-4-11-9(7)12-5-8(6)10/h2-5H,1H3 |
| InChI Key | DOZALCOKNIMKNG-UHFFFAOYSA-N |
| MDL Number | MFCD27931675 |
| Molecular Formula | C9H7BrN2 |
| Molecular Weight | 223.0693 |
| SMILES | Brc1cnc2c(c1C)cccn2 |
| Synonyms | 3-bromo-4-methyl-1,8-naphthyridine,
893566-54-6,
1,8-Naphthyridine, 3-bromo-4-methyl-,
SCHEMBL3147594,
DOZALCOKNIMKNG-UHFFFAOYSA-N,
3-bromo4-methyl-[1,8]-naphthyridine,
AKOS032456179,
ZINC145500146,
3-bromo-4-methyl-[1,8]-naphthyridine,
F1957-0331,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.073g/mol |
| Monoisotopic Mass | 221.979g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number