2-(4-fluorophenoxy)-5-iodopyrimidine

C10H6FIN2O — CID 104839781

IUPAC2-(4-fluorophenoxy)-5-iodopyrimidine
SMILESFc1ccc(Oc2ncc(I)cn2)cc1
InChIInChI=1S/C10H6FIN2O/c11-7-1-3-9(4-2-7)15-10-13-5-8(12)6-14-10/h1-6H
InChIKeyJUUWXYMHIUCBNG-UHFFFAOYSA-N
MW316.07 g/mol
LogP3.01
Rot. Bonds2

About 2-(4-fluorophenoxy)-5-iodopyrimidine

2-(4-fluorophenoxy)-5-iodopyrimidine (PubChem CID 104839781) has the molecular formula C10H6FIN2O and a molecular weight of 316.07 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-5-iodopyrimidine.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-5-iodopyrimidine
PubChem CID104839781
Molecular FormulaC10H6FIN2O
Molecular Weight316.07 g/mol
Exact Mass315.95
IUPAC Name2-(4-fluorophenoxy)-5-iodopyrimidine
SMILESFc1ccc(Oc2ncc(I)cn2)cc1
InChIInChI=1S/C10H6FIN2O/c11-7-1-3-9(4-2-7)15-10-13-5-8(12)6-14-10/h1-6H
InChIKeyJUUWXYMHIUCBNG-UHFFFAOYSA-N
XLogP3.01
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.07
LogP ≤ 53.01
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 2-(4-fluorophenoxy)-5-iodopyrimidine?
The IUPAC name of 2-(4-fluorophenoxy)-5-iodopyrimidine (CID 104839781) is 2-(4-fluorophenoxy)-5-iodopyrimidine.
What is the SMILES notation for 2-(4-fluorophenoxy)-5-iodopyrimidine?
The canonical SMILES for 2-(4-fluorophenoxy)-5-iodopyrimidine is Fc1ccc(Oc2ncc(I)cn2)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-5-iodopyrimidine?
The InChIKey is JUUWXYMHIUCBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FIN2O/c11-7-1-3-9(4-2-7)15-10-13-5-8(12)6-14-10/h1-6H.
What are the key properties of 2-(4-fluorophenoxy)-5-iodopyrimidine?
2-(4-fluorophenoxy)-5-iodopyrimidine has a molecular weight of 316.07 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-5-iodopyrimidine is sourced from PubChem (CID 104839781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).