V06
3-bromopyridin-4-amine
Created: | 2022-08-03 |
Last modified: | 2023-05-31 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 13 |
Chiral Atom Count | 0 |
Bond Count | 13 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | 3-bromopyridin-4-amine |
Systematic Name (OpenEye OEToolkits) | 3-bromanylpyridin-4-amine |
Formula | C5 H5 Br N2 |
Molecular Weight | 173.011 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Nc1ccncc1Br |
SMILES | CACTVS | 3.385 | Nc1ccncc1Br |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cncc(c1N)Br |
Canonical SMILES | CACTVS | 3.385 | Nc1ccncc1Br |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1cncc(c1N)Br |
InChI | InChI | 1.06 | InChI=1S/C5H5BrN2/c6-4-3-8-2-1-5(4)7/h1-3H,(H2,7,8) |
InChIKey | InChI | 1.06 | DDQYSZWFFXOXER-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 26095 |