3-(3-fluoropropyl)-5-iodopyrimidin-4-one

C7H8FIN2O — CID 81113660

IUPAC3-(3-fluoropropyl)-5-iodopyrimidin-4-one
SMILESO=c1c(I)cncn1CCCF
InChIInChI=1S/C7H8FIN2O/c8-2-1-3-11-5-10-4-6(9)7(11)12/h4-5H,1-3H2
InChIKeyMEDSMGHJIQYPRM-UHFFFAOYSA-N
MW282.06 g/mol
LogP1.21
Rot. Bonds3

About 3-(3-fluoropropyl)-5-iodopyrimidin-4-one

3-(3-fluoropropyl)-5-iodopyrimidin-4-one (PubChem CID 81113660) has the molecular formula C7H8FIN2O and a molecular weight of 282.06 g/mol. Its IUPAC name is 3-(3-fluoropropyl)-5-iodopyrimidin-4-one.

Molecular Properties

Compound Name3-(3-fluoropropyl)-5-iodopyrimidin-4-one
PubChem CID81113660
Molecular FormulaC7H8FIN2O
Molecular Weight282.06 g/mol
Exact Mass281.97
IUPAC Name3-(3-fluoropropyl)-5-iodopyrimidin-4-one
SMILESO=c1c(I)cncn1CCCF
InChIInChI=1S/C7H8FIN2O/c8-2-1-3-11-5-10-4-6(9)7(11)12/h4-5H,1-3H2
InChIKeyMEDSMGHJIQYPRM-UHFFFAOYSA-N
XLogP1.21
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.06
LogP ≤ 51.21
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-(3-fluoropropyl)-5-iodopyrimidin-4-one?
The IUPAC name of 3-(3-fluoropropyl)-5-iodopyrimidin-4-one (CID 81113660) is 3-(3-fluoropropyl)-5-iodopyrimidin-4-one.
What is the SMILES notation for 3-(3-fluoropropyl)-5-iodopyrimidin-4-one?
The canonical SMILES for 3-(3-fluoropropyl)-5-iodopyrimidin-4-one is O=c1c(I)cncn1CCCF.
What is the InChIKey of 3-(3-fluoropropyl)-5-iodopyrimidin-4-one?
The InChIKey is MEDSMGHJIQYPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FIN2O/c8-2-1-3-11-5-10-4-6(9)7(11)12/h4-5H,1-3H2.
What are the key properties of 3-(3-fluoropropyl)-5-iodopyrimidin-4-one?
3-(3-fluoropropyl)-5-iodopyrimidin-4-one has a molecular weight of 282.06 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropyl)-5-iodopyrimidin-4-one is sourced from PubChem (CID 81113660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).