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- ChemComp-8PJ: 3-nitropyridin-2-ol -

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Basic information

EntryDatabase: PDB chemical components / ID: 8PJ
NameName: 3-nitropyridin-2-ol

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Chemical information

Composition
Formula: C5H4N2O3 / Number of atoms: 14 / Formula weight: 140.097 / Formal charge: 0
Others

5phj

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 8PJ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5PHJ
History
Create componentFeb 24, 2017
Initial releaseMar 15, 2017
External linksUniChem / ChemSpider / ChemicalBook / CompTox / NMRShiftDB / PubChem / SureChEMBL / ZINC / 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 3.385Oc1ncccc1[N+]([O-])=O
OpenEye OEToolkits 2.0.6c1cc(c(nc1)O)[N+](=O)[O-]

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SMILES CANONICAL

CACTVS 3.385Oc1ncccc1[N+]([O-])=O
OpenEye OEToolkits 2.0.6c1cc(c(nc1)O)[N+](=O)[O-]

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InChI

InChI 1.03InChI=1S/C5H4N2O3/c8-5-4(7(9)10)2-1-3-6-5/h1-3H,(H,6,8)

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InChIKey

InChI 1.03BOAFCICMVMFLIT-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.63-nitropyridin-2-ol

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PDB entries

Showing all 1 items

PDB-5phj:
PanDDA analysis group deposition -- Crystal Structure of JMJD2D in complex with N09400a

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