| CAS Number | 1190314-41-0 |
| Catalog Number | AG000HMJ(AGN-PC-0WHEK2) |
| Chemical Name | 1H-Pyrrolo[2,3-b]pyridine, 3-bromo-5-methyl- |
| IUPAC Name | 3-bromo-5-methyl-1H-pyrrolo[2,3-b]pyridine |
| InChI | InChI=1S/C8H7BrN2/c1-5-2-6-7(9)4-11-8(6)10-3-5/h2-4H,1H3,(H,10,11) |
| InChI Key | NXDMFWNWKLYMHM-UHFFFAOYSA-N |
| MDL Number | MFCD12962780 |
| Molecular Formula | C8H7BrN2 |
| Molecular Weight | 211.0586 |
| SMILES | CC1=CN=C(NC=C2Br)C2=C1 |
| Synonyms | 3-bromo-5-methyl-1H-pyrrolo[2,3-b]pyridine,
1190314-41-0,
3-BROMO-5-METHYL-7-AZAINDOLE,
SCHEMBL91446,
MFCD12962780,
ZINC44712664,
AKOS027323982,
SB14346,
AS-49478,
CS-0051461,
W-1618,
1H-Pyrrolo[2,3-b]pyridine, 3-bromo-5-methyl-,
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| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.062g/mol |
| Monoisotopic Mass | 209.979g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number