| CAS Number | 872620-93-4 |
| Catalog Number | AG00GTYB(AGN-PC-0WQVJA) |
| Chemical Name | 1H-Pyrrolo[2,3-b]pyridine-3-carboxaMide, 5-broMo-N-Methyl- |
| IUPAC Name | 5-bromo-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide |
| InChI | InChI=1S/C9H8BrN3O/c1-11-9(14)7-4-13-8-6(7)2-5(10)3-12-8/h2-4H,1H3,(H,11,14)(H,12,13) |
| InChI Key | UTJJZKBWXLYEJU-UHFFFAOYSA-N |
| MDL Number | MFCD15529253 |
| Molecular Formula | C9H8BrN3O |
| Molecular Weight | 254.0833 |
| SMILES | CNC(=O)C1=CNC2=NC=C(Br)C=C12 |
| Synonyms | 872620-93-4,
5-bromo-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide,
1H-Pyrrolo[2,3-b]pyridine-3-carboxamide, 5-bromo-N-methyl-,
SCHEMBL4120005,
UTJJZKBWXLYEJU-UHFFFAOYSA-N,
CS-B0567,
ZINC95937231,
CS-13496,
1H-Pyrrolo[2,3-b]pyridine-3-carboxamide,5-bromo-N-methyl-,
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| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.98507g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.08g/mol |
| Monoisotopic Mass | 252.98507g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number