| CAS Number | 1190310-24-7 |
| Catalog Number | AG000HGE(AGN-PC-0WD7JO) |
| Chemical Name | methyl 5-fluoro-1H-pyrrolo[2,3-b]pyridine-4-carboxylate |
| IUPAC Name | methyl 5-fluoro-1H-pyrrolo[2,3-b]pyridine-4-carboxylate |
| InChI | InChI=1S/C9H7FN2O2/c1-14-9(13)7-5-2-3-11-8(5)12-4-6(7)10/h2-4H,1H3,(H,11,12) |
| InChI Key | LLGKEFTUEUHOPV-UHFFFAOYSA-N |
| MDL Number | MFCD12962823 |
| Molecular Formula | C9H7FN2O2 |
| Molecular Weight | 194.1625 |
| SMILES | COC(=O)c1c(F)cnc2[nH]ccc12 |
| Synonyms | methyl 5-fluoro-1H-pyrrolo[2,3-b]pyridine-4-carboxylate,
1190310-24-7,
5-Fluoro-7-azaindole-4-carboxlic acid methyl ester,
SCHEMBL1953766,
LLGKEFTUEUHOPV-UHFFFAOYSA-N,
MFCD12962823,
ZINC44712707,
SB14481,
AS-53253,
CS-0048981,
1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid, 5-fluoro-, methyl ester,
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| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.165g/mol |
| Monoisotopic Mass | 194.049g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number