| CAS Number | 1934833-64-3 |
| Catalog Number | AG01DTXE(AGN-PC-3H45D5) |
| Chemical Name | Methyl 3-methyl-3H-imidazo[4,5-b]pyridine-5-carboxylate |
| IUPAC Name | methyl 3-methylimidazo[4,5-b]pyridine-5-carboxylate |
| InChI | InChI=1S/C9H9N3O2/c1-12-5-10-6-3-4-7(9(13)14-2)11-8(6)12/h3-5H,1-2H3 |
| InChI Key | FDJOOADUEJFPAX-UHFFFAOYSA-N |
| MDL Number | MFCD28991906 |
| Molecular Formula | C9H9N3O2 |
| Molecular Weight | 191.1867 |
| SMILES | COC(C1=NC2=C(N=CN2C)C=C1)=O |
| Synonyms | Methyl 3-methyl-3H-imidazo[4,5-b]pyridine-5-carboxylate,
1934833-64-3,
MFCD28991906,
ZINC261028264,
CS-0039930,
3H-Imidazo[4,5-b]pyridine-5-carboxylic acid, 3-methyl-, methyl ester,
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| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.19g/mol |
| Monoisotopic Mass | 191.069g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
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