2ZV

4-methyl-3-nitropyridin-2-amine

Created: 2013-09-20
Last modified:  2014-05-14

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Chemical Details

Formal Charge0
Atom Count18
Chiral Atom Count0
Bond Count18
Aromatic Bond Count6
2D diagram of 2ZV

Chemical Component Summary

Name4-methyl-3-nitropyridin-2-amine
Systematic Name (OpenEye OEToolkits)4-methyl-3-nitro-pyridin-2-amine
FormulaC6 H7 N3 O2
Molecular Weight153.139
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=[N+]([O-])c1c(ccnc1N)C
SMILESCACTVS3.385Cc1ccnc(N)c1[N+]([O-])=O
SMILESOpenEye OEToolkits1.7.6Cc1ccnc(c1[N+](=O)[O-])N
Canonical SMILESCACTVS3.385 Cc1ccnc(N)c1[N+]([O-])=O
Canonical SMILESOpenEye OEToolkits1.7.6 Cc1ccnc(c1[N+](=O)[O-])N
InChIInChI1.03 InChI=1S/C6H7N3O2/c1-4-2-3-8-6(7)5(4)9(10)11/h2-3H,1H3,(H2,7,8)
InChIKeyInChI1.03 IKMZGACFMXZAAT-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 243166
ChEMBL CHEMBL3981727
CCDC/CSD TOQGUD, TOQGUD02, AYAWOO, YOVJUP01, YOVJUP