Chemical Components in the PDB

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HHQ : Summary

Code

HHQ

One-letter code

X

Molecule name

4-iodanyl-3~{H}-pyridin-2-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 4-iodanyl-3~{H}-pyridin-2-one

Formula

C5 H4 I N O

Formal charge

0

Molecular weight

220.996 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 IC1=CC=NC(=O)C1
SMILES OpenEye OEToolkits 2.0.6 C1C(=CC=NC1=O)I
Canonical SMILES CACTVS 3.385 IC1=CC=NC(=O)C1
Canonical SMILES OpenEye OEToolkits 2.0.6 C1C(=CC=NC1=O)I

IUPAC InChI

InChI=1S/C5H4INO/c6-4-1-2-7-5(8)3-4/h1-2H,3H2

IUPAC InChI key

GRVSGGNZRNHMQI-UHFFFAOYSA-N
HHQ

wwPDB Information

Atom count

12 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-12-06

Last modified at

2019-03-15

Status

Released

Obsoleted

Not Assigned