| CAS Number | 1260536-49-9 |
| Catalog Number | AG00HIT0(AGN-PC-0WQZ3J) |
| Chemical Name | 7-Methylpyrrolo[2,3-b]pyridine-3-boronic acid |
| IUPAC Name | (1-methylpyrrolo[2,3-b]pyridin-5-yl)boronic acid |
| InChI | InChI=1S/C8H9BN2O2/c1-11-3-2-6-4-7(9(12)13)5-10-8(6)11/h2-5,12-13H,1H3 |
| InChI Key | DTLXTFZIXQWPCL-UHFFFAOYSA-N |
| MDL Number | MFCD22394534 |
| Molecular Formula | C8H9BN2O2 |
| Molecular Weight | 175.9803 |
| SMILES | CN1C=CC2=CC(B(O)O)=CN=C21 |
| Synonyms | 1260536-49-9,
(1-Methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)boronic acid,
SCHEMBL2694345,
ZINC203702362,
7-Methylpyrrolo[2,3-b]pyridine-3-boronic acid,
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| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.982g/mol |
| Monoisotopic Mass | 176.076g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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