| CAS Number | 1260381-31-4 |
| Catalog Number | AG01BXJL |
| Chemical Name | 5-methoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid |
| IUPAC Name | 5-methoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid |
| InChI | InChI=1S/C9H8N2O3/c1-14-6-2-5-3-7(9(12)13)11-8(5)10-4-6/h2-4H,1H3,(H,10,11)(H,12,13) |
| InChI Key | BLICHPDSRSMZOI-UHFFFAOYSA-N |
| MDL Number | MFCD18381036 |
| Molecular Formula | C9H8N2O3 |
| Molecular Weight | 192.1714 |
| SMILES | COC1=CC2=C(NC(C(O)=O)=C2)N=C1 |
| Synonyms | 1260381-31-4,
5-methoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid,
5-Methoxy-7-azaindole-2-carboxylic acid,
SCHEMBL13180937,
ZINC84324455,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.174g/mol |
| Monoisotopic Mass | 192.053g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 75.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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