| CAS Number | 1427503-67-0 |
| Catalog Number | AG00HWMJ(AGN-PC-0WNGRK) |
| Chemical Name | 5-Bromo-6-methoxy-1-methyl-1H-pyrrolo[2,3-b]pyridine |
| IUPAC Name | 5-bromo-6-methoxy-1-methylpyrrolo[2,3-b]pyridine |
| InChI | InChI=1S/C9H9BrN2O/c1-12-4-3-6-5-7(10)9(13-2)11-8(6)12/h3-5H,1-2H3 |
| InChI Key | YYJBCFVYXAPGEH-UHFFFAOYSA-N |
| MDL Number | MFCD23704073 |
| Molecular Formula | C9H9BrN2O |
| Molecular Weight | 241.0846 |
| SMILES | BrC=1C=C2C(=NC1OC)N(C=C2)C |
| Synonyms | 5-bromo-6-methoxy-1-methyl-1H-pyrrolo[2,3-b]pyridine,
1427503-67-0,
KS-000005DS,
MFCD23704073,
ZINC96306896,
AKOS027338419,
5-Bromo-1-methyl-6-methoxy-7-azaindole,
AS-52621,
CS-0050574,
W-2246,
5-bromo-6-methoxy-1-methylpyrrolo[2,3-b]pyridine,
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| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.088g/mol |
| Monoisotopic Mass | 239.99g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 27A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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