| CAS Number | 920978-82-1 |
| Catalog Number | AG01DX8S(AGN-PC-0VY7BU) |
| Chemical Name | ethyl 1-[(3-fluorophenyl)methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxylate |
| IUPAC Name | ethyl 1-[(3-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-2-carboxylate |
| InChI | InChI=1S/C17H15FN2O2/c1-2-22-17(21)15-9-13-6-7-19-10-16(13)20(15)11-12-4-3-5-14(18)8-12/h3-10H,2,11H2,1H3 |
| InChI Key | OTEBZASQXCFNKT-UHFFFAOYSA-N |
| MDL Number | MFCD27964845 |
| Molecular Formula | C17H15FN2O2 |
| Molecular Weight | 298.3116 |
| SMILES | FC=1C=C(CN2C(=CC=3C2=CN=CC3)C(=O)OCC)C=CC1 |
| Synonyms | 920978-82-1,
1h-pyrrolo[2,3-c]pyridine-2-carboxylic acid,1-[(3-fluorophenyl)methyl]-,ethyl ester,
SCHEMBL2811033,
ethyl 1-[(3-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-2-carboxylate,
AKOS032961565,
ZINC140602427,
1H-PYRROLO[2,3-C]PYRIDINE-2-CARBOXYLIC ACID, 1-[(3-FLUOROPHENYL)METHYL]-,ETHYL ESTER,
1H-Pyrrolo[2,3-c]pyridine-2-carboxylic acid, 1-[(3-fluorophenyl)methyl]-, ethyl ester,
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| Complexity | 393 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.317g/mol |
| Monoisotopic Mass | 298.112g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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