| CAS Number | 1691654-53-1 |
| Catalog Number | AG01AUD0 |
| Chemical Name | 5-bromo-3-cyclopropanecarbonyl-1H-pyrrolo[2,3-b]pyridine |
| IUPAC Name | (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-cyclopropylmethanone |
| InChI | InChI=1S/C11H9BrN2O/c12-7-3-8-9(10(15)6-1-2-6)5-14-11(8)13-4-7/h3-6H,1-2H2,(H,13,14) |
| InChI Key | QLLNNTSTVBGQRJ-UHFFFAOYSA-N |
| MDL Number | MFCD29034849 |
| Molecular Formula | C11H9BrN2O |
| Molecular Weight | 265.1060 |
| SMILES | BrC1=CC2=C(NC=C2C(C2CC2)=O)N=C1 |
| Synonyms | 5-bromo-3-cyclopropanecarbonyl-1H-pyrrolo[2,3-b]pyridine,
1691654-53-1,
AKOS030757446,
ZINC232453493,
Z2235386825,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.11g/mol |
| Monoisotopic Mass | 263.99g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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