2-(5-fluoro-2-pyridinyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one

C9H5FIN3O2 — CID 79719651

IUPAC2-(5-fluoro-2-pyridinyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccc(F)cn2)nc(O)c1I
InChIInChI=1S/C9H5FIN3O2/c10-4-1-2-5(12-3-4)7-13-8(15)6(11)9(16)14-7/h1-3H,(H2,13,14,15,16)
InChIKeyDUWNOGZNWBTGMN-UHFFFAOYSA-N
MW333.06 g/mol
LogP1.28
Rot. Bonds1

About 2-(5-fluoro-2-pyridinyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one

2-(5-fluoro-2-pyridinyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one (PubChem CID 79719651) has the molecular formula C9H5FIN3O2 and a molecular weight of 333.06 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
PubChem CID79719651
Molecular FormulaC9H5FIN3O2
Molecular Weight333.06 g/mol
Exact Mass332.94
IUPAC Name2-(5-fluoro-2-pyridinyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccc(F)cn2)nc(O)c1I
InChIInChI=1S/C9H5FIN3O2/c10-4-1-2-5(12-3-4)7-13-8(15)6(11)9(16)14-7/h1-3H,(H2,13,14,15,16)
InChIKeyDUWNOGZNWBTGMN-UHFFFAOYSA-N
XLogP1.28
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.06
LogP ≤ 51.28
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 2-(5-fluoro-2-pyridinyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one (CID 79719651) is 2-(5-fluoro-2-pyridinyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one is O=c1[nH]c(-c2ccc(F)cn2)nc(O)c1I.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The InChIKey is DUWNOGZNWBTGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FIN3O2/c10-4-1-2-5(12-3-4)7-13-8(15)6(11)9(16)14-7/h1-3H,(H2,13,14,15,16).
What are the key properties of 2-(5-fluoro-2-pyridinyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
2-(5-fluoro-2-pyridinyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one has a molecular weight of 333.06 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 79719651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).