| CAS Number | 1379360-58-3 |
| Catalog Number | AG00IKQJ(AGN-PC-0WNWHP) |
| Chemical Name | 6-bromo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid |
| IUPAC Name | 6-bromo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid |
| InChI | InChI=1S/C8H5BrN2O2/c9-6-2-1-4-3-5(8(12)13)10-7(4)11-6/h1-3H,(H,10,11)(H,12,13) |
| InChI Key | KVEARZKPFHWGAS-UHFFFAOYSA-N |
| MDL Number | MFCD06653203 |
| Molecular Formula | C8H5BrN2O2 |
| Molecular Weight | 241.0415 |
| SMILES | Brc1ccc2c(n1)[nH]c(c2)C(=O)O |
| Synonyms | 1379360-58-3,
6-BROMO-1H-PYRROLO[2,3-B]PYRIDINE-2-CARBOXYLIC ACID,
6-BROMO-7-AZAINDOLE-2-CARBOXYLIC ACID,
6-Bromo-7-zazindole-2-carboxylic acid,
MFCD19706071,
ZINC95627674,
FCH1362080,
PB15426,
SB19983,
AK172103,
AS-34348,
ST1090524,
CS-0050310,
Q-4332,
1222175-20-3,
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| 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 | 2.2 |
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Certificate of Analysis
Lot Number