5-iodo-3-[2-(2-oxo-1-pyridinyl)ethyl]pyrimidin-4-one

C11H10IN3O2 — CID 82907417

IUPAC5-iodo-3-[2-(2-oxo-1-pyridinyl)ethyl]pyrimidin-4-one
SMILESO=c1ccccn1CCn1cncc(I)c1=O
InChIInChI=1S/C11H10IN3O2/c12-9-7-13-8-15(11(9)17)6-5-14-4-2-1-3-10(14)16/h1-4,7-8H,5-6H2
InChIKeyVWZWKLKSWTZPCB-UHFFFAOYSA-N
MW343.12 g/mol
LogP0.71
Rot. Bonds3

About 5-iodo-3-[2-(2-oxo-1-pyridinyl)ethyl]pyrimidin-4-one

5-iodo-3-[2-(2-oxo-1-pyridinyl)ethyl]pyrimidin-4-one (PubChem CID 82907417) has the molecular formula C11H10IN3O2 and a molecular weight of 343.12 g/mol. Its IUPAC name is 5-iodo-3-[2-(2-oxo-1-pyridinyl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-iodo-3-[2-(2-oxo-1-pyridinyl)ethyl]pyrimidin-4-one
PubChem CID82907417
Molecular FormulaC11H10IN3O2
Molecular Weight343.12 g/mol
Exact Mass342.98
IUPAC Name5-iodo-3-[2-(2-oxo-1-pyridinyl)ethyl]pyrimidin-4-one
SMILESO=c1ccccn1CCn1cncc(I)c1=O
InChIInChI=1S/C11H10IN3O2/c12-9-7-13-8-15(11(9)17)6-5-14-4-2-1-3-10(14)16/h1-4,7-8H,5-6H2
InChIKeyVWZWKLKSWTZPCB-UHFFFAOYSA-N
XLogP0.71
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.12
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-[2-(2-oxo-1-pyridinyl)ethyl]pyrimidin-4-one?
The IUPAC name of 5-iodo-3-[2-(2-oxo-1-pyridinyl)ethyl]pyrimidin-4-one (CID 82907417) is 5-iodo-3-[2-(2-oxo-1-pyridinyl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 5-iodo-3-[2-(2-oxo-1-pyridinyl)ethyl]pyrimidin-4-one?
The canonical SMILES for 5-iodo-3-[2-(2-oxo-1-pyridinyl)ethyl]pyrimidin-4-one is O=c1ccccn1CCn1cncc(I)c1=O.
What is the InChIKey of 5-iodo-3-[2-(2-oxo-1-pyridinyl)ethyl]pyrimidin-4-one?
The InChIKey is VWZWKLKSWTZPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10IN3O2/c12-9-7-13-8-15(11(9)17)6-5-14-4-2-1-3-10(14)16/h1-4,7-8H,5-6H2.
What are the key properties of 5-iodo-3-[2-(2-oxo-1-pyridinyl)ethyl]pyrimidin-4-one?
5-iodo-3-[2-(2-oxo-1-pyridinyl)ethyl]pyrimidin-4-one has a molecular weight of 343.12 g/mol, XLogP of 0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-[2-(2-oxo-1-pyridinyl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 82907417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).