1204295-87-3 Purity
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Specification
The molecular formula of the compound is C13H16FN3O2.
Some synonyms of the compound are tert-Butyl ((5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)methyl)carbamate and tert-butyl N-[(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]carbamate.
The molecular weight of the compound is 265.28 g/mol.
The IUPAC name of the compound is tert-butyl N-[(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]carbamate.
The InChI of the compound is InChI=1S/C13H16FN3O2/c1-13(2,3)19-12(18)17-6-9-8-4-5-15-11(8)16-7-10(9)14/h4-5,7H,6H2,1-3H3,(H,15,16)(H,17,18).
The InChIKey of the compound is ILNJJLYIJFAGBI-UHFFFAOYSA-N.
The canonical SMILES of the compound is CC(C)(C)OC(=O)NCC1=C2C=CNC2=NC=C1F.
The CAS number of the compound is 1228666-42-9.
The compound has 2 hydrogen bond donor counts.
Yes, the compound is canonicalized.