![6-Amino-4-(4-bromophenyl)-[2,3'-bipyridine]-5-carbonitrile](/api/spectrum/KePrGdRxg11/structure.png?h=300&w=458 "6-Amino-4-(4-bromophenyl)-[2,3'-bipyridine]-5-carbonitrile")
| SpectraBase Compound ID | 4jqyIdpwT2K |
|---|---|
| InChI | InChI=1S/C17H11BrN4/c18-13-5-3-11(4-6-13)14-8-16(12-2-1-7-21-10-12)22-17(20)15(14)9-19/h1-8,10H,(H2,20,22) |
| InChIKey | IHXZLFVZXDEAEP-UHFFFAOYSA-N |
| Mol Weight | 351.21 g/mol |
| Molecular Formula | C17H11BrN4 |
| Exact Mass | 350.016709 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KePrGdRxg11 |
|---|---|
| Name | 6-Amino-4-(4-bromophenyl)-[2,3'-bipyridine]-5-carbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.016709370 u |
| Formula | C17H11BrN4 |
| InChI | InChI=1S/C17H11BrN4/c18-13-5-3-11(4-6-13)14-8-16(12-2-1-7-21-10-12)22-17(20)15(14)9-19/h1-8,10H,(H2,20,22) |
| InChIKey | IHXZLFVZXDEAEP-UHFFFAOYSA-N |
| Molecular Weight | 351.207 g/mol |
| SMILES | C1(Br)=CC=C(C=C1)C1=C(C(=NC(=C1)C1=CN=CC=C1)N)C#N |