| CAS Number | 1936009-13-0 |
| Catalog Number | AG01E7KK |
| Chemical Name | Methyl 2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate |
| IUPAC Name | methyl 2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate |
| InChI | InChI=1S/C9H10N2O2/c1-13-9(12)7-4-6-2-3-10-8(6)11-5-7/h4-5H,2-3H2,1H3,(H,10,11) |
| InChI Key | YLGUVPMSTABGHT-UHFFFAOYSA-N |
| MDL Number | MFCD28388054 |
| Molecular Formula | C9H10N2O2 |
| Molecular Weight | 178.1879 |
| SMILES | COC(C1=CC2=C(NCC2)N=C1)=O |
| Synonyms | Methyl 2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate,
1936009-13-0,
SCHEMBL13332908,
MFCD28388054,
ZINC79065446,
AKOS027335139,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.191g/mol |
| Monoisotopic Mass | 178.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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