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- ChemComp-HHQ: 4-iodanyl-3~{H}-pyridin-2-one -

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Basic information

EntryDatabase: PDB chemical components / ID: HHQ
NameName: 4-iodanyl-3~{H}-pyridin-2-one

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Chemical information

Composition
Formula: C5H4INO / Number of atoms: 12 / Formula weight: 220.996 / Formal charge: 0
Others

6q48

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: HHQ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6Q48
History
Create componentDec 6, 2018
Initial releaseMar 20, 2019
External linksUniChem / ChemSpider / PubChem / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

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

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C5H4INO/c6-4-1-2-7-5(8)3-4/h1-2H,3H2

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InChIKey

InChI 1.03GRVSGGNZRNHMQI-UHFFFAOYSA-N

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PDB entries

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