8TA

2-[5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]pyridine

Created:2017-03-03
Last modified:  2017-03-15

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Chemical Details

Formal Charge0
Atom Count26
Chiral Atom Count0
Bond Count28
Aromatic Bond Count16
2D diagram of 8TA

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Chemical Component Summary

Name2-[5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]pyridine
Systematic Name (OpenEye OEToolkits)2-(5-pyrrol-1-yl-1~{H}-pyrazol-4-yl)pyridine
FormulaC12 H10 N4
Molecular Weight210.235
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n1ccccc1c2cnnc2n3cccc3
SMILESCACTVS3.385[nH]1ncc(c1n2cccc2)c3ccccn3
SMILESOpenEye OEToolkits2.0.6c1ccnc(c1)c2cn[nH]c2n3cccc3
Canonical SMILESCACTVS3.385 [nH]1ncc(c1n2cccc2)c3ccccn3
Canonical SMILESOpenEye OEToolkits2.0.6 c1ccnc(c1)c2cn[nH]c2n3cccc3
InChIInChI1.03 InChI=1S/C12H10N4/c1-2-6-13-11(5-1)10-9-14-15-12(10)16-7-3-4-8-16/h1-9H,(H,14,15)
InChIKeyInChI1.03 XNKBJFZFSNFFOK-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 124220763