3-(2-fluoroethyl)-5-iodopyrimidin-4-one

C6H6FIN2O — CID 80694477

IUPAC3-(2-fluoroethyl)-5-iodopyrimidin-4-one
SMILESO=c1c(I)cncn1CCF
InChIInChI=1S/C6H6FIN2O/c7-1-2-10-4-9-3-5(8)6(10)11/h3-4H,1-2H2
InChIKeyDOVMSKNDRCFKRK-UHFFFAOYSA-N
MW268.03 g/mol
LogP0.82
Rot. Bonds2

About 3-(2-fluoroethyl)-5-iodopyrimidin-4-one

3-(2-fluoroethyl)-5-iodopyrimidin-4-one (PubChem CID 80694477) has the molecular formula C6H6FIN2O and a molecular weight of 268.03 g/mol. Its IUPAC name is 3-(2-fluoroethyl)-5-iodopyrimidin-4-one.

Molecular Properties

Compound Name3-(2-fluoroethyl)-5-iodopyrimidin-4-one
PubChem CID80694477
Molecular FormulaC6H6FIN2O
Molecular Weight268.03 g/mol
Exact Mass267.95
IUPAC Name3-(2-fluoroethyl)-5-iodopyrimidin-4-one
SMILESO=c1c(I)cncn1CCF
InChIInChI=1S/C6H6FIN2O/c7-1-2-10-4-9-3-5(8)6(10)11/h3-4H,1-2H2
InChIKeyDOVMSKNDRCFKRK-UHFFFAOYSA-N
XLogP0.82
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.03
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethyl)-5-iodopyrimidin-4-one?
The IUPAC name of 3-(2-fluoroethyl)-5-iodopyrimidin-4-one (CID 80694477) is 3-(2-fluoroethyl)-5-iodopyrimidin-4-one.
What is the SMILES notation for 3-(2-fluoroethyl)-5-iodopyrimidin-4-one?
The canonical SMILES for 3-(2-fluoroethyl)-5-iodopyrimidin-4-one is O=c1c(I)cncn1CCF.
What is the InChIKey of 3-(2-fluoroethyl)-5-iodopyrimidin-4-one?
The InChIKey is DOVMSKNDRCFKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FIN2O/c7-1-2-10-4-9-3-5(8)6(10)11/h3-4H,1-2H2.
What are the key properties of 3-(2-fluoroethyl)-5-iodopyrimidin-4-one?
3-(2-fluoroethyl)-5-iodopyrimidin-4-one has a molecular weight of 268.03 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethyl)-5-iodopyrimidin-4-one is sourced from PubChem (CID 80694477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).