Chemical Components in the PDB

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F4Z : Summary

Code

F4Z

One-letter code

X

Molecule name

3,5,6-trichloro-2-pyridinol

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 3,5,6-tris(chloranyl)pyridin-2-ol

Formula

C5 H2 Cl3 N O

Formal charge

0

Molecular weight

198.434 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Oc1nc(Cl)c(Cl)cc1Cl
SMILES OpenEye OEToolkits 2.0.6 c1c(c(nc(c1Cl)Cl)O)Cl
Canonical SMILES CACTVS 3.385 Oc1nc(Cl)c(Cl)cc1Cl
Canonical SMILES OpenEye OEToolkits 2.0.6 c1c(c(nc(c1Cl)Cl)O)Cl

IUPAC InChI

InChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)

IUPAC InChI key

WCYYAQFQZQEUEN-UHFFFAOYSA-N
F4Z

wwPDB Information

Atom count

12 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-05-31

Last modified at

2018-07-06

Status

Released

Obsoleted

Not Assigned