2ZV
4-methyl-3-nitropyridin-2-amine
Created: | 2013-09-20 |
Last modified: | 2014-05-14 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 18 |
Chiral Atom Count | 0 |
Bond Count | 18 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | 4-methyl-3-nitropyridin-2-amine |
Systematic Name (OpenEye OEToolkits) | 4-methyl-3-nitro-pyridin-2-amine |
Formula | C6 H7 N3 O2 |
Molecular Weight | 153.139 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=[N+]([O-])c1c(ccnc1N)C |
SMILES | CACTVS | 3.385 | Cc1ccnc(N)c1[N+]([O-])=O |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ccnc(c1[N+](=O)[O-])N |
Canonical SMILES | CACTVS | 3.385 | Cc1ccnc(N)c1[N+]([O-])=O |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ccnc(c1[N+](=O)[O-])N |
InChI | InChI | 1.03 | InChI=1S/C6H7N3O2/c1-4-2-3-8-6(7)5(4)9(10)11/h2-3H,1H3,(H2,7,8) |
InChIKey | InChI | 1.03 | IKMZGACFMXZAAT-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 243166 |
ChEMBL | CHEMBL3981727 |
CCDC/CSD | TOQGUD, TOQGUD02, AYAWOO, YOVJUP01, YOVJUP |