943320-69-2 Purity
96%
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Specification
The molecular formula is C13H18BN3O2.
The synonyms are 943323-56-6, 1H-PYRROLO[2,3-B]PYRIDIN-6-AMINE, 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, and 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrrolo[2,3-b]pyridin-6-amine.
The molecular weight is 259.11 g/mol.
The IUPAC Name is 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine.
The InChI is InChI=1S/C13H18BN3O2/c1-12(2)13(3,4)19-14(18-12)9-7-10(15)17-11-8(9)5-6-16-11/h5-7H,1-4H3,(H3,15,16,17).
The InChIKey is IQIYEKPOPONDGX-UHFFFAOYSA-N.
The canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC3=C2C=CN3)N.
The CAS number is 943323-56-6.
The hydrogen bond donor count is 2.
Yes, 7-Azaindole-6-amine-4-boronic acid pinacol ester is canonicalized.