| CAS Number | 1246088-51-6 |
| Catalog Number | AG00HHQ0(AGN-PC-0WAO6P) |
| Chemical Name | 2-Ethyl-1h-pyrrolo[2,3-b]pyridine-5-carbaldehyde |
| IUPAC Name | 2-ethyl-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde |
| InChI | InChI=1S/C10H10N2O/c1-2-9-4-8-3-7(6-13)5-11-10(8)12-9/h3-6H,2H2,1H3,(H,11,12) |
| InChI Key | RQZRWBCJDGIEKW-UHFFFAOYSA-N |
| MDL Number | MFCD17171332 |
| Molecular Formula | C10H10N2O |
| Molecular Weight | 174.1992 |
| SMILES | O=Cc1cnc2c(c1)cc([nH]2)CC |
| Synonyms | 2-Ethyl-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde,
1246088-51-6,
AC1Q2U3L,
CTK7I0440,
DTXSID80678448,
MFCD17171332,
ZINC66054277,
AKOS015838597,
TR-072252,
CS-0088367,
A-6294,
2-Ethyl-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde, AldrichCPR,
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| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.203g/mol |
| Monoisotopic Mass | 174.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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