5-chloro-2-(2-iodophenoxy)pyrimidine

C10H6ClIN2O — CID 79556845

IUPAC5-chloro-2-(2-iodophenoxy)pyrimidine
SMILESClc1cnc(Oc2ccccc2I)nc1
InChIInChI=1S/C10H6ClIN2O/c11-7-5-13-10(14-6-7)15-9-4-2-1-3-8(9)12/h1-6H
InChIKeyXLMUTXSTXWWWPM-UHFFFAOYSA-N
MW332.53 g/mol
LogP3.53
Rot. Bonds2

About 5-chloro-2-(2-iodophenoxy)pyrimidine

5-chloro-2-(2-iodophenoxy)pyrimidine (PubChem CID 79556845) has the molecular formula C10H6ClIN2O and a molecular weight of 332.53 g/mol. Its IUPAC name is 5-chloro-2-(2-iodophenoxy)pyrimidine.

Molecular Properties

Compound Name5-chloro-2-(2-iodophenoxy)pyrimidine
PubChem CID79556845
Molecular FormulaC10H6ClIN2O
Molecular Weight332.53 g/mol
Exact Mass331.92
IUPAC Name5-chloro-2-(2-iodophenoxy)pyrimidine
SMILESClc1cnc(Oc2ccccc2I)nc1
InChIInChI=1S/C10H6ClIN2O/c11-7-5-13-10(14-6-7)15-9-4-2-1-3-8(9)12/h1-6H
InChIKeyXLMUTXSTXWWWPM-UHFFFAOYSA-N
XLogP3.53
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.53
LogP ≤ 53.53
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 5-chloro-2-(2-iodophenoxy)pyrimidine?
The IUPAC name of 5-chloro-2-(2-iodophenoxy)pyrimidine (CID 79556845) is 5-chloro-2-(2-iodophenoxy)pyrimidine.
What is the SMILES notation for 5-chloro-2-(2-iodophenoxy)pyrimidine?
The canonical SMILES for 5-chloro-2-(2-iodophenoxy)pyrimidine is Clc1cnc(Oc2ccccc2I)nc1.
What is the InChIKey of 5-chloro-2-(2-iodophenoxy)pyrimidine?
The InChIKey is XLMUTXSTXWWWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClIN2O/c11-7-5-13-10(14-6-7)15-9-4-2-1-3-8(9)12/h1-6H.
What are the key properties of 5-chloro-2-(2-iodophenoxy)pyrimidine?
5-chloro-2-(2-iodophenoxy)pyrimidine has a molecular weight of 332.53 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-iodophenoxy)pyrimidine is sourced from PubChem (CID 79556845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).