| CAS Number | 78316-22-0 |
| Catalog Number | AG00G9OF |
| Chemical Name | 3-methylimidazo[4,5-b]pyridine-7-carboxylic acid |
| IUPAC Name | 3-methylimidazo[4,5-b]pyridine-7-carboxylic acid |
| InChI | InChI=1S/C8H7N3O2/c1-11-4-10-6-5(8(12)13)2-3-9-7(6)11/h2-4H,1H3,(H,12,13) |
| InChI Key | VGWIYXYVOPSYLV-UHFFFAOYSA-N |
| MDL Number | MFCD18836658 |
| Molecular Formula | C8H7N3O2 |
| Molecular Weight | 177.1601 |
| SMILES | C12=C(C=CN=C1N(C=N2)C)C(O)=O |
| Synonyms | 3-Methyl-3H-imidazo[4,5-b]pyridine-7-carboxylic acid,
78316-22-0,
SCHEMBL18224928,
ZINC95931412,
AKOS022179177,
AJ-137080,
|
| Complexity | 221 |
| 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 | 1 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
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