| CAS Number | 1638769-03-5 |
| Catalog Number | AG00IL80(AGN-PC-0WD8Y4) |
| Chemical Name | Methyl3H-imidazo[4,5-b]pyridine-5-carboxylate |
| IUPAC Name | methyl 1H-imidazo[4,5-b]pyridine-5-carboxylate |
| InChI | InChI=1S/C8H7N3O2/c1-13-8(12)6-3-2-5-7(11-6)10-4-9-5/h2-4H,1H3,(H,9,10,11) |
| InChI Key | KEDKRLKUQYADGO-UHFFFAOYSA-N |
| MDL Number | MFCD27986877 |
| Molecular Formula | C8H7N3O2 |
| Molecular Weight | 177.1601 |
| SMILES | COC(=O)C1=CC=C2N=CNC2=N1 |
| Synonyms | Methyl 3H-imidazo[4,5-b]pyridine-5-carboxylate,
1638769-03-5,
methyl 1H-imidazo[4,5-b]pyridine-5-carboxylate,
MFCD27986877,
AKOS030238594,
ZINC201283540,
SB10335,
AS-53761,
CS-0049093,
methyl3H-imidazo[4,5-b]pyridine-5-carboxylate,
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| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.163g/mol |
| Monoisotopic Mass | 177.054g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number