| CAS Number | 1167056-92-9 |
| Catalog Number | AG000D4F(AGN-PC-09SJ46) |
| Chemical Name | 1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid, 6-chloro- |
| IUPAC Name | 6-chloro-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid |
| InChI | InChI=1S/C8H5ClN2O2/c9-6-3-5(8(12)13)4-1-2-10-7(4)11-6/h1-3H,(H,10,11)(H,12,13) |
| InChI Key | WNHYMQCWBLAACO-UHFFFAOYSA-N |
| MDL Number | MFCD12405099 |
| Molecular Formula | C8H5ClN2O2 |
| Molecular Weight | 196.5905 |
| SMILES | O=C(C1=C2C(NC=C2)=NC(Cl)=C1)O |
| Synonyms | 6-chloro-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid,
1167056-92-9,
6-Chloro-7-azaindole-4-carboxylic acid,
SCHEMBL2158798,
1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid, 6-chloro-,
WNHYMQCWBLAACO-UHFFFAOYSA-N,
MFCD12405099,
ZINC44185183,
AKOS025149193,
FCH1152974,
SB14231,
AK203731,
AS-49456,
CS-0004481,
W-1538,
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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 | 196.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.59g/mol |
| Monoisotopic Mass | 196.004g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number