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E8V : Summary

Code

E8V

One-letter code

X

Molecule name

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

Systematic names

ProgramVersionName
ACDLabs 12.01 4,4'-(2-aminopyridine-3,5-diyl)bis(2,6-difluorophenol)
OpenEye OEToolkits 2.0.6 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

Formal charge

0

Molecular weight

350.267 Da

SMILES

TypeProgramVersionDescriptor
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

IUPAC InChI

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)

IUPAC InChI key

FFWVPGLOKRROCI-UHFFFAOYSA-N
E8V

wwPDB Information

Atom count

35 (25 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-12-13

Last modified at

2017-12-15

Status

Released

Obsoleted

Not Assigned