2-(3-iodophenoxy)-4,6-dimethoxy-1,3,5-triazine

C11H10IN3O3 — CID 62859977

IUPAC2-(3-iodophenoxy)-4,6-dimethoxy-1,3,5-triazine
SMILESCOc1nc(OC)nc(Oc2cccc(I)c2)n1
InChIInChI=1S/C11H10IN3O3/c1-16-9-13-10(17-2)15-11(14-9)18-8-5-3-4-7(12)6-8/h3-6H,1-2H3
InChIKeyTXYSBARKFGDFQR-UHFFFAOYSA-N
MW359.12 g/mol
LogP2.29
Rot. Bonds4

About 2-(3-iodophenoxy)-4,6-dimethoxy-1,3,5-triazine

2-(3-iodophenoxy)-4,6-dimethoxy-1,3,5-triazine (PubChem CID 62859977) has the molecular formula C11H10IN3O3 and a molecular weight of 359.12 g/mol. Its IUPAC name is 2-(3-iodophenoxy)-4,6-dimethoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-iodophenoxy)-4,6-dimethoxy-1,3,5-triazine
PubChem CID62859977
Molecular FormulaC11H10IN3O3
Molecular Weight359.12 g/mol
Exact Mass358.98
IUPAC Name2-(3-iodophenoxy)-4,6-dimethoxy-1,3,5-triazine
SMILESCOc1nc(OC)nc(Oc2cccc(I)c2)n1
InChIInChI=1S/C11H10IN3O3/c1-16-9-13-10(17-2)15-11(14-9)18-8-5-3-4-7(12)6-8/h3-6H,1-2H3
InChIKeyTXYSBARKFGDFQR-UHFFFAOYSA-N
XLogP2.29
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.12
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(3-iodophenoxy)-4,6-dimethoxy-1,3,5-triazine?
The IUPAC name of 2-(3-iodophenoxy)-4,6-dimethoxy-1,3,5-triazine (CID 62859977) is 2-(3-iodophenoxy)-4,6-dimethoxy-1,3,5-triazine.
What is the SMILES notation for 2-(3-iodophenoxy)-4,6-dimethoxy-1,3,5-triazine?
The canonical SMILES for 2-(3-iodophenoxy)-4,6-dimethoxy-1,3,5-triazine is COc1nc(OC)nc(Oc2cccc(I)c2)n1.
What is the InChIKey of 2-(3-iodophenoxy)-4,6-dimethoxy-1,3,5-triazine?
The InChIKey is TXYSBARKFGDFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10IN3O3/c1-16-9-13-10(17-2)15-11(14-9)18-8-5-3-4-7(12)6-8/h3-6H,1-2H3.
What are the key properties of 2-(3-iodophenoxy)-4,6-dimethoxy-1,3,5-triazine?
2-(3-iodophenoxy)-4,6-dimethoxy-1,3,5-triazine has a molecular weight of 359.12 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodophenoxy)-4,6-dimethoxy-1,3,5-triazine is sourced from PubChem (CID 62859977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).