E8V

4,4'-(2-aminopyridine-3,5-diyl)bis(2,6-difluorophenol)

Created:	2017-12-13
Last modified:	2017-12-20

Find Related PDB Entry
1 entries where E8V is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	18

2D diagram of E8V

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	4,4'-(2-aminopyridine-3,5-diyl)bis(2,6-difluorophenol)
Systematic Name (OpenEye OEToolkits)	4-[6-azanyl-5-[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]pyridin-3-yl]-2,6-bis(fluoranyl)phenol
Formula	C₁₇ H₁₀ F₄ N₂ O₂
Molecular Weight	350.267
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(cnc(N)c(c1)c2cc(c(c(c2)F)O)F)c3cc(c(c(c3)F)O)F
SMILES	CACTVS	3.385	Nc1ncc(cc1c2cc(F)c(O)c(F)c2)c3cc(F)c(O)c(F)c3
SMILES	OpenEye OEToolkits	2.0.6	c1c(cc(c(c1F)O)F)c2cc(c(nc2)N)c3cc(c(c(c3)F)O)F
Canonical SMILES	CACTVS	3.385	Nc1ncc(cc1c2cc(F)c(O)c(F)c2)c3cc(F)c(O)c(F)c3
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1c(cc(c(c1F)O)F)c2cc(c(nc2)N)c3cc(c(c(c3)F)O)F
InChI	InChI	1.03	InChI=1S/C17H10F4N2O2/c18-11-2-7(3-12(19)15(11)24)9-1-10(17(22)23-6-9)8-4-13(20)16(25)14(21)5-8/h1-6,24-25H,(H2,22,23)
InChIKey	InChI	1.03	FFWVPGLOKRROCI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	131953527

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.