About 6-(4-bromothiophen-2-yl)-2-hydrazinylpyridine-3-carbonitrile
6-(4-bromothiophen-2-yl)-2-hydrazinylpyridine-3-carbonitrile (PubChem CID 107355275) has the molecular formula C10H7BrN4S
and a molecular weight of 295.17 g/mol. Its IUPAC name is 6-(4-bromothiophen-2-yl)-2-hydrazinylpyridine-3-carbonitrile.
Molecular Properties
| Compound Name | 6-(4-bromothiophen-2-yl)-2-hydrazinylpyridine-3-carbonitrile |
| PubChem CID | 107355275 |
| Molecular Formula | C10H7BrN4S |
| Molecular Weight | 295.17 g/mol |
| Exact Mass | 293.96 |
| IUPAC Name | 6-(4-bromothiophen-2-yl)-2-hydrazinylpyridine-3-carbonitrile |
| SMILES | N#Cc1ccc(-c2cc(Br)cs2)nc1NN |
| InChI | InChI=1S/C10H7BrN4S/c11-7-3-9(16-5-7)8-2-1-6(4-12)10(14-8)15-13/h1-3,5H,13H2,(H,14,15) |
| InChIKey | JEBTVLVCDGZGBG-UHFFFAOYSA-N |
| XLogP | 2.73 |
| TPSA | 74.73 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 295.17 |
| LogP ≤ 5 | 2.73 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 6-(4-bromothiophen-2-yl)-2-hydrazinylpyridine-3-carbonitrile?
The IUPAC name of 6-(4-bromothiophen-2-yl)-2-hydrazinylpyridine-3-carbonitrile (CID 107355275) is 6-(4-bromothiophen-2-yl)-2-hydrazinylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-bromothiophen-2-yl)-2-hydrazinylpyridine-3-carbonitrile?
The canonical SMILES for 6-(4-bromothiophen-2-yl)-2-hydrazinylpyridine-3-carbonitrile is N#Cc1ccc(-c2cc(Br)cs2)nc1NN.
What is the InChIKey of 6-(4-bromothiophen-2-yl)-2-hydrazinylpyridine-3-carbonitrile?
The InChIKey is JEBTVLVCDGZGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN4S/c11-7-3-9(16-5-7)8-2-1-6(4-12)10(14-8)15-13/h1-3,5H,13H2,(H,14,15).
What are the key properties of 6-(4-bromothiophen-2-yl)-2-hydrazinylpyridine-3-carbonitrile?
6-(4-bromothiophen-2-yl)-2-hydrazinylpyridine-3-carbonitrile has a molecular weight of 295.17 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromothiophen-2-yl)-2-hydrazinylpyridine-3-carbonitrile is sourced from PubChem (CID 107355275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).