VVT

6-chloro-3-phenyl-4-(pyridin-4-yl)pyridazine

Created: 2015-05-15
Last modified:  2016-07-07

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Chemical Details

Formal Charge0
Atom Count29
Chiral Atom Count0
Bond Count31
Aromatic Bond Count18
2D diagram of VVT

Chemical Component Summary

Name6-chloro-3-phenyl-4-(pyridin-4-yl)pyridazine
Systematic Name (OpenEye OEToolkits)6-chloranyl-3-phenyl-4-pyridin-4-yl-pyridazine
FormulaC15 H10 Cl N3
Molecular Weight267.713
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01Clc2cc(c1ccncc1)c(nn2)c3ccccc3
SMILESCACTVS3.385Clc1cc(c2ccncc2)c(nn1)c3ccccc3
SMILESOpenEye OEToolkits1.9.2c1ccc(cc1)c2c(cc(nn2)Cl)c3ccncc3
Canonical SMILESCACTVS3.385 Clc1cc(c2ccncc2)c(nn1)c3ccccc3
Canonical SMILESOpenEye OEToolkits1.9.2 c1ccc(cc1)c2c(cc(nn2)Cl)c3ccncc3
InChIInChI1.03 InChI=1S/C15H10ClN3/c16-14-10-13(11-6-8-17-9-7-11)15(19-18-14)12-4-2-1-3-5-12/h1-10H
InChIKeyInChI1.03 FHQYQYMBRPYWIY-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 87264666