4-chloro-6-(2-iodophenoxy)-2-(trifluoromethyl)pyrimidine

C11H5ClF3IN2O — CID 106766742

IUPAC4-chloro-6-(2-iodophenoxy)-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nc(Cl)cc(Oc2ccccc2I)n1
InChIInChI=1S/C11H5ClF3IN2O/c12-8-5-9(18-10(17-8)11(13,14)15)19-7-4-2-1-3-6(7)16/h1-5H
InChIKeyZXXJUVQKXNYRKA-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.55
Rot. Bonds2

About 4-chloro-6-(2-iodophenoxy)-2-(trifluoromethyl)pyrimidine

4-chloro-6-(2-iodophenoxy)-2-(trifluoromethyl)pyrimidine (PubChem CID 106766742) has the molecular formula C11H5ClF3IN2O and a molecular weight of 400.53 g/mol. Its IUPAC name is 4-chloro-6-(2-iodophenoxy)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-iodophenoxy)-2-(trifluoromethyl)pyrimidine
PubChem CID106766742
Molecular FormulaC11H5ClF3IN2O
Molecular Weight400.53 g/mol
Exact Mass399.91
IUPAC Name4-chloro-6-(2-iodophenoxy)-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nc(Cl)cc(Oc2ccccc2I)n1
InChIInChI=1S/C11H5ClF3IN2O/c12-8-5-9(18-10(17-8)11(13,14)15)19-7-4-2-1-3-6(7)16/h1-5H
InChIKeyZXXJUVQKXNYRKA-UHFFFAOYSA-N
XLogP4.55
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.55
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 4-chloro-6-(2-iodophenoxy)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-(2-iodophenoxy)-2-(trifluoromethyl)pyrimidine (CID 106766742) is 4-chloro-6-(2-iodophenoxy)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(2-iodophenoxy)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(2-iodophenoxy)-2-(trifluoromethyl)pyrimidine is FC(F)(F)c1nc(Cl)cc(Oc2ccccc2I)n1.
What is the InChIKey of 4-chloro-6-(2-iodophenoxy)-2-(trifluoromethyl)pyrimidine?
The InChIKey is ZXXJUVQKXNYRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF3IN2O/c12-8-5-9(18-10(17-8)11(13,14)15)19-7-4-2-1-3-6(7)16/h1-5H.
What are the key properties of 4-chloro-6-(2-iodophenoxy)-2-(trifluoromethyl)pyrimidine?
4-chloro-6-(2-iodophenoxy)-2-(trifluoromethyl)pyrimidine has a molecular weight of 400.53 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-iodophenoxy)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 106766742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).