| CAS Number | 1797210-14-0 |
| Catalog Number | AG01A6G2 |
| Chemical Name | 3-(1-Methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)benzoic acid |
| IUPAC Name | 3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoic acid |
| InChI | InChI=1S/C14H11N3O3/c1-17-11-6-10(7-15-12(11)16-14(17)20)8-3-2-4-9(5-8)13(18)19/h2-7H,1H3,(H,18,19)(H,15,16,20) |
| InChI Key | NODWKXBQGYKYOG-UHFFFAOYSA-N |
| MDL Number | MFCD27500665 |
| Molecular Formula | C14H11N3O3 |
| Molecular Weight | 269.2554 |
| SMILES | CN1C(NC2=NC=C(C=C21)C=2C=C(C(=O)O)C=CC2)=O |
| Synonyms | 3-{1-methyl-2-oxo-1H,2H,3H-imidazo[4,5-b]pyridin-6-yl}benzoic acid,
1797210-14-0,
ZINC95882059,
AKOS033576810,
MCULE-1215518480,
Z1744691564,
|
| Complexity | 415 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.26g/mol |
| Monoisotopic Mass | 269.08g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 82.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number