| CAS Number | 1234616-00-2 |
| Catalog Number | AG00HHAA |
| Chemical Name | 3-Bromo-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid |
| IUPAC Name | 3-bromo-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid |
| InChI | InChI=1S/C8H5BrN2O2/c9-6-3-11-7-5(6)1-4(2-10-7)8(12)13/h1-3H,(H,10,11)(H,12,13) |
| InChI Key | LKXGBGGSAMCDSJ-UHFFFAOYSA-N |
| MDL Number | MFCD17214371 |
| Molecular Formula | C8H5BrN2O2 |
| Molecular Weight | 241.0415 |
| SMILES | BrC1=CNC2=NC=C(C=C21)C(=O)O |
| Synonyms | 3-BROMO-1H-PYRROLO[2,3-B]PYRIDINE-5-CARBOXYLIC ACID,
1234616-00-2,
MFCD17214371,
ZINC206019923,
PB22898,
CS-0055193,
3-BROMO-7-AZAINDOLE-5-CARBOXYLIC ACID,
Q-1935,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.953g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.044g/mol |
| Monoisotopic Mass | 239.953g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number