4-hydroxy-5-iodo-2-pyridin-2-yl-1H-pyrimidin-6-one

C9H6IN3O2 — CID 66285358

IUPAC4-hydroxy-5-iodo-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccccn2)nc(O)c1I
InChIInChI=1S/C9H6IN3O2/c10-6-8(14)12-7(13-9(6)15)5-3-1-2-4-11-5/h1-4H,(H2,12,13,14,15)
InChIKeyFHLUAHNWPAWRDC-UHFFFAOYSA-N
MW315.07 g/mol
LogP1.14
Rot. Bonds1

About 4-hydroxy-5-iodo-2-pyridin-2-yl-1H-pyrimidin-6-one

4-hydroxy-5-iodo-2-pyridin-2-yl-1H-pyrimidin-6-one (PubChem CID 66285358) has the molecular formula C9H6IN3O2 and a molecular weight of 315.07 g/mol. Its IUPAC name is 4-hydroxy-5-iodo-2-pyridin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-iodo-2-pyridin-2-yl-1H-pyrimidin-6-one
PubChem CID66285358
Molecular FormulaC9H6IN3O2
Molecular Weight315.07 g/mol
Exact Mass314.95
IUPAC Name4-hydroxy-5-iodo-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccccn2)nc(O)c1I
InChIInChI=1S/C9H6IN3O2/c10-6-8(14)12-7(13-9(6)15)5-3-1-2-4-11-5/h1-4H,(H2,12,13,14,15)
InChIKeyFHLUAHNWPAWRDC-UHFFFAOYSA-N
XLogP1.14
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.07
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-iodo-2-pyridin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-iodo-2-pyridin-2-yl-1H-pyrimidin-6-one (CID 66285358) is 4-hydroxy-5-iodo-2-pyridin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-iodo-2-pyridin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-iodo-2-pyridin-2-yl-1H-pyrimidin-6-one is O=c1[nH]c(-c2ccccn2)nc(O)c1I.
What is the InChIKey of 4-hydroxy-5-iodo-2-pyridin-2-yl-1H-pyrimidin-6-one?
The InChIKey is FHLUAHNWPAWRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6IN3O2/c10-6-8(14)12-7(13-9(6)15)5-3-1-2-4-11-5/h1-4H,(H2,12,13,14,15).
What are the key properties of 4-hydroxy-5-iodo-2-pyridin-2-yl-1H-pyrimidin-6-one?
4-hydroxy-5-iodo-2-pyridin-2-yl-1H-pyrimidin-6-one has a molecular weight of 315.07 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-iodo-2-pyridin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 66285358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).