1-hydroxy-6-[(1-hydroxy-6-oxo-2-pyridinyl)iodanuidyl]pyridin-2-one

C10H8IN2O4- — CID 170629044

IUPAC1-hydroxy-6-[(1-hydroxy-6-oxo-2-pyridinyl)iodanuidyl]pyridin-2-one
SMILESO=c1cccc([I-]c2cccc(=O)n2O)n1O
InChIInChI=1S/C10H8IN2O4/c14-9-5-1-3-7(12(9)16)11-8-4-2-6-10(15)13(8)17/h1-6,16-17H/q-1
InChIKeyNXPRKDKCFOQBRN-UHFFFAOYSA-N
MW347.09 g/mol
LogP-3.39
Rot. Bonds2

About 1-hydroxy-6-[(1-hydroxy-6-oxo-2-pyridinyl)iodanuidyl]pyridin-2-one

1-hydroxy-6-[(1-hydroxy-6-oxo-2-pyridinyl)iodanuidyl]pyridin-2-one (PubChem CID 170629044) has the molecular formula C10H8IN2O4- and a molecular weight of 347.09 g/mol. Its IUPAC name is 1-hydroxy-6-[(1-hydroxy-6-oxo-2-pyridinyl)iodanuidyl]pyridin-2-one.

Molecular Properties

Compound Name1-hydroxy-6-[(1-hydroxy-6-oxo-2-pyridinyl)iodanuidyl]pyridin-2-one
PubChem CID170629044
Molecular FormulaC10H8IN2O4-
Molecular Weight347.09 g/mol
Exact Mass346.95
IUPAC Name1-hydroxy-6-[(1-hydroxy-6-oxo-2-pyridinyl)iodanuidyl]pyridin-2-one
SMILESO=c1cccc([I-]c2cccc(=O)n2O)n1O
InChIInChI=1S/C10H8IN2O4/c14-9-5-1-3-7(12(9)16)11-8-4-2-6-10(15)13(8)17/h1-6,16-17H/q-1
InChIKeyNXPRKDKCFOQBRN-UHFFFAOYSA-N
XLogP-3.39
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.09
LogP ≤ 5-3.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-6-[(1-hydroxy-6-oxo-2-pyridinyl)iodanuidyl]pyridin-2-one?
The IUPAC name of 1-hydroxy-6-[(1-hydroxy-6-oxo-2-pyridinyl)iodanuidyl]pyridin-2-one (CID 170629044) is 1-hydroxy-6-[(1-hydroxy-6-oxo-2-pyridinyl)iodanuidyl]pyridin-2-one.
What is the SMILES notation for 1-hydroxy-6-[(1-hydroxy-6-oxo-2-pyridinyl)iodanuidyl]pyridin-2-one?
The canonical SMILES for 1-hydroxy-6-[(1-hydroxy-6-oxo-2-pyridinyl)iodanuidyl]pyridin-2-one is O=c1cccc([I-]c2cccc(=O)n2O)n1O.
What is the InChIKey of 1-hydroxy-6-[(1-hydroxy-6-oxo-2-pyridinyl)iodanuidyl]pyridin-2-one?
The InChIKey is NXPRKDKCFOQBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8IN2O4/c14-9-5-1-3-7(12(9)16)11-8-4-2-6-10(15)13(8)17/h1-6,16-17H/q-1.
What are the key properties of 1-hydroxy-6-[(1-hydroxy-6-oxo-2-pyridinyl)iodanuidyl]pyridin-2-one?
1-hydroxy-6-[(1-hydroxy-6-oxo-2-pyridinyl)iodanuidyl]pyridin-2-one has a molecular weight of 347.09 g/mol, XLogP of -3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6-[(1-hydroxy-6-oxo-2-pyridinyl)iodanuidyl]pyridin-2-one is sourced from PubChem (CID 170629044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).