| CAS Number | 524726-20-3 |
| Catalog Number | AG00IR1K(AGN-PC-0WAUWO) |
| Chemical Name | 8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine |
| IUPAC Name | 8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine |
| InChI | InChI=1S/C14H11N3O2/c1-10-4-3-7-16-9-13(15-14(10)16)11-5-2-6-12(8-11)17(18)19/h2-9H,1H3 |
| InChI Key | XEHFGVSJJRRHAB-UHFFFAOYSA-N |
| MDL Number | MFCD00438452 |
| Molecular Formula | C14H11N3O2 |
| Molecular Weight | 253.256 |
| SMILES | O=[N+]([O-])C3(=CC(C=1(N=C2(C(=CC=CN2(C=1))C)))=CC=C3) |
| Synonyms | 8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine,
524726-20-3,
AC1LS19Z,
imidazo[1,2-a]pyridine,8-methyl-2-(3-nitrophenyl)-,
CTK5I3702,
KS-00001Y1M,
ZINC1393764,
AKOS005096772,
MCULE-6829524712,
5W-0817,
8-Methyl-2-(3-nitro-phenyl)-imidazo[1,2-a]pyridine,
ZINC01393764,
CID1480769,
|
| Complexity | 344 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.261g/mol |
| Monoisotopic Mass | 253.085g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number