FN7

2,4,6-trimethylpyridine-3-carboxylic acid

Created:2021-04-01
Last modified:  2021-07-21

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Chemical Details

Formal Charge0
Atom Count23
Chiral Atom Count0
Bond Count23
Aromatic Bond Count6
2D diagram of FN7

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Chemical Component Summary

Name2,4,6-trimethylpyridine-3-carboxylic acid
Systematic Name (OpenEye OEToolkits)2,4,6-trimethylpyridine-3-carboxylic acid
FormulaC9 H11 N O2
Molecular Weight165.189
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OC(=O)c1c(C)cc(C)nc1C
SMILESCACTVS3.385Cc1cc(C)c(C(O)=O)c(C)n1
SMILESOpenEye OEToolkits2.0.7Cc1cc(nc(c1C(=O)O)C)C
Canonical SMILESCACTVS3.385 Cc1cc(C)c(C(O)=O)c(C)n1
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1cc(nc(c1C(=O)O)C)C
InChIInChI1.03 InChI=1S/C9H11NO2/c1-5-4-6(2)10-7(3)8(5)9(11)12/h4H,1-3H3,(H,11,12)
InChIKeyInChI1.03 YUGIEZXMHZFOFD-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 2753085