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

C11H9ClIN3O2 — CID 62859033

IUPAC2-chloro-4-ethoxy-6-(3-iodophenoxy)-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(Oc2cccc(I)c2)n1
InChIInChI=1S/C11H9ClIN3O2/c1-2-17-10-14-9(12)15-11(16-10)18-8-5-3-4-7(13)6-8/h3-6H,2H2,1H3
InChIKeyWUZGQKNGOIMVHX-UHFFFAOYSA-N
MW377.57 g/mol
LogP3.32
Rot. Bonds4

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

2-chloro-4-ethoxy-6-(3-iodophenoxy)-1,3,5-triazine (PubChem CID 62859033) has the molecular formula C11H9ClIN3O2 and a molecular weight of 377.57 g/mol. Its IUPAC name is 2-chloro-4-ethoxy-6-(3-iodophenoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-ethoxy-6-(3-iodophenoxy)-1,3,5-triazine
PubChem CID62859033
Molecular FormulaC11H9ClIN3O2
Molecular Weight377.57 g/mol
Exact Mass376.94
IUPAC Name2-chloro-4-ethoxy-6-(3-iodophenoxy)-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(Oc2cccc(I)c2)n1
InChIInChI=1S/C11H9ClIN3O2/c1-2-17-10-14-9(12)15-11(16-10)18-8-5-3-4-7(13)6-8/h3-6H,2H2,1H3
InChIKeyWUZGQKNGOIMVHX-UHFFFAOYSA-N
XLogP3.32
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.57
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-(3-iodophenoxy)-6-propan-2-yloxy-1,3,5-triazine
CID 62868287
2-chloro-4-(4-chloro-3-ethylphenoxy)-6-ethoxy-1,3,5-triazine
CID 62859376
2-chloro-4-ethoxy-6-(4-ethylphenoxy)-1,3,5-triazine
CID 62859372
5,6-diethyl-3-(3-iodophenoxy)-1,2,4-triazine
CID 105362314
4-(3-bromophenoxy)-6-ethoxy-1,3,5-triazin-2-amine
CID 80869998
2-(4-butylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine
CID 115492564
4-ethoxy-N-ethyl-6-(3-methylphenoxy)-1,3,5-triazin-2-amine
CID 80869953
4-chloro-6-ethoxy-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 62858032
2-(3-tert-butylphenoxy)-4,6-dichloro-1,3,5-triazine
CID 55124372
2-N,2-N-diethyl-6-(3-iodophenoxy)-1,3,5-triazine-2,4-diamine
CID 80881035
4-(4-chlorophenoxy)-6-ethoxy-1,3,5-triazin-2-amine
CID 80863734
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)oxy]-6-fluorobenzonitrile
CID 62859550

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethoxy-6-(3-iodophenoxy)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-ethoxy-6-(3-iodophenoxy)-1,3,5-triazine (CID 62859033) is 2-chloro-4-ethoxy-6-(3-iodophenoxy)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-ethoxy-6-(3-iodophenoxy)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-ethoxy-6-(3-iodophenoxy)-1,3,5-triazine is CCOc1nc(Cl)nc(Oc2cccc(I)c2)n1.
What is the InChIKey of 2-chloro-4-ethoxy-6-(3-iodophenoxy)-1,3,5-triazine?
The InChIKey is WUZGQKNGOIMVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClIN3O2/c1-2-17-10-14-9(12)15-11(16-10)18-8-5-3-4-7(13)6-8/h3-6H,2H2,1H3.
What are the key properties of 2-chloro-4-ethoxy-6-(3-iodophenoxy)-1,3,5-triazine?
2-chloro-4-ethoxy-6-(3-iodophenoxy)-1,3,5-triazine has a molecular weight of 377.57 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethoxy-6-(3-iodophenoxy)-1,3,5-triazine is sourced from PubChem (CID 62859033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).