| CAS Number | 1581754-84-8 |
| Catalog Number | AG01FSLZ(AGN-PC-3H608M) |
| Chemical Name | 6-Chloro-3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2(3H)-one |
| IUPAC Name | 6-chloro-3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one |
| InChI | InChI=1S/C9H9ClN2O/c1-9(2)5-3-4-6(10)11-7(5)12-8(9)13/h3-4H,1-2H3,(H,11,12,13) |
| InChI Key | WTLOWZMYUVXLOP-UHFFFAOYSA-N |
| MDL Number | MFCD28677961 |
| Molecular Formula | C9H9ClN2O |
| Molecular Weight | 196.6336 |
| SMILES | O=C1C(C)(C)C2=CC=C(Cl)N=C2N1 |
| Synonyms | 1581754-84-8,
6-chloro-3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2(3H)-one,
6-Chloro-3,3-dimethyl-1,3-dihydro-2H-pyrrolo[2,3-b]pyridin-2-one,
SCHEMBL15578826,
WTLOWZMYUVXLOP-UHFFFAOYSA-N,
2H-Pyrrolo[2,3-b]pyridin-2-one, 6-chloro-1,3-dihydro-3,3-dimethyl-,
CS-16382,
AK00780916,
CS-0096454,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.040341g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.63g/mol |
| Monoisotopic Mass | 196.040341g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 42Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number