5-bromo-4-(4-iodophenoxy)pyrimidine

C10H6BrIN2O — CID 66342526

IUPAC5-bromo-4-(4-iodophenoxy)pyrimidine
SMILESBrc1cncnc1Oc1ccc(I)cc1
InChIInChI=1S/C10H6BrIN2O/c11-9-5-13-6-14-10(9)15-8-3-1-7(12)2-4-8/h1-6H
InChIKeyRPCIXXATMKADPZ-UHFFFAOYSA-N
MW376.98 g/mol
LogP3.64
Rot. Bonds2

About 5-bromo-4-(4-iodophenoxy)pyrimidine

5-bromo-4-(4-iodophenoxy)pyrimidine (PubChem CID 66342526) has the molecular formula C10H6BrIN2O and a molecular weight of 376.98 g/mol. Its IUPAC name is 5-bromo-4-(4-iodophenoxy)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-(4-iodophenoxy)pyrimidine
PubChem CID66342526
Molecular FormulaC10H6BrIN2O
Molecular Weight376.98 g/mol
Exact Mass375.87
IUPAC Name5-bromo-4-(4-iodophenoxy)pyrimidine
SMILESBrc1cncnc1Oc1ccc(I)cc1
InChIInChI=1S/C10H6BrIN2O/c11-9-5-13-6-14-10(9)15-8-3-1-7(12)2-4-8/h1-6H
InChIKeyRPCIXXATMKADPZ-UHFFFAOYSA-N
XLogP3.64
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.98
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-4-(4-iodophenoxy)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(4-iodophenoxy)pyrimidine?
The IUPAC name of 5-bromo-4-(4-iodophenoxy)pyrimidine (CID 66342526) is 5-bromo-4-(4-iodophenoxy)pyrimidine.
What is the SMILES notation for 5-bromo-4-(4-iodophenoxy)pyrimidine?
The canonical SMILES for 5-bromo-4-(4-iodophenoxy)pyrimidine is Brc1cncnc1Oc1ccc(I)cc1.
What is the InChIKey of 5-bromo-4-(4-iodophenoxy)pyrimidine?
The InChIKey is RPCIXXATMKADPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrIN2O/c11-9-5-13-6-14-10(9)15-8-3-1-7(12)2-4-8/h1-6H.
What are the key properties of 5-bromo-4-(4-iodophenoxy)pyrimidine?
5-bromo-4-(4-iodophenoxy)pyrimidine has a molecular weight of 376.98 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(4-iodophenoxy)pyrimidine is sourced from PubChem (CID 66342526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).