| CAS Number | 53516-07-7 |
| Catalog Number | AG01A517(AGN-PC-0WOD5X) |
| Chemical Name | 6-chloro-1H,2H,3H-pyrrolo[2,3-b]pyridine |
| IUPAC Name | 6-chloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine |
| InChI | InChI=1S/C7H7ClN2/c8-6-2-1-5-3-4-9-7(5)10-6/h1-2H,3-4H2,(H,9,10) |
| InChI Key | KBASFRHXGJCOMZ-UHFFFAOYSA-N |
| MDL Number | MFCD18256422 |
| Molecular Formula | C7H7ClN2 |
| Molecular Weight | 154.5969 |
| SMILES | C1CNC2=C1C=CC(=N2)Cl |
| Synonyms | 6-chloro-1H,2H,3H-pyrrolo[2,3-b]pyridine,
53516-07-7,
6-Chloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine,
6-chloro-7-azaindoline,
ZINC95218360,
AKOS024125091,
NE53875,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.597g/mol |
| Monoisotopic Mass | 154.03g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 24.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number