2-chloro-4-(chloromethoxy)-6-(dichloromethoxy)-1,3,5-triazine

C5H3Cl4N3O2 — CID 165351562

IUPAC2-chloro-4-(chloromethoxy)-6-(dichloromethoxy)-1,3,5-triazine
SMILESClCOc1nc(Cl)nc(OC(Cl)Cl)n1
InChIInChI=1S/C5H3Cl4N3O2/c6-1-13-4-10-3(9)11-5(12-4)14-2(7)8/h2H,1H2
InChIKeyMIYIQNQRRXCHMP-UHFFFAOYSA-N
MW278.91 g/mol
LogP2.24
Rot. Bonds4

About 2-chloro-4-(chloromethoxy)-6-(dichloromethoxy)-1,3,5-triazine

2-chloro-4-(chloromethoxy)-6-(dichloromethoxy)-1,3,5-triazine (PubChem CID 165351562) has the molecular formula C5H3Cl4N3O2 and a molecular weight of 278.91 g/mol. Its IUPAC name is 2-chloro-4-(chloromethoxy)-6-(dichloromethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(chloromethoxy)-6-(dichloromethoxy)-1,3,5-triazine
PubChem CID165351562
Molecular FormulaC5H3Cl4N3O2
Molecular Weight278.91 g/mol
Exact Mass276.90
IUPAC Name2-chloro-4-(chloromethoxy)-6-(dichloromethoxy)-1,3,5-triazine
SMILESClCOc1nc(Cl)nc(OC(Cl)Cl)n1
InChIInChI=1S/C5H3Cl4N3O2/c6-1-13-4-10-3(9)11-5(12-4)14-2(7)8/h2H,1H2
InChIKeyMIYIQNQRRXCHMP-UHFFFAOYSA-N
XLogP2.24
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.91
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(chloromethoxy)-6-(dichloromethoxy)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(chloromethoxy)-6-(dichloromethoxy)-1,3,5-triazine (CID 165351562) is 2-chloro-4-(chloromethoxy)-6-(dichloromethoxy)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(chloromethoxy)-6-(dichloromethoxy)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(chloromethoxy)-6-(dichloromethoxy)-1,3,5-triazine is ClCOc1nc(Cl)nc(OC(Cl)Cl)n1.
What is the InChIKey of 2-chloro-4-(chloromethoxy)-6-(dichloromethoxy)-1,3,5-triazine?
The InChIKey is MIYIQNQRRXCHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl4N3O2/c6-1-13-4-10-3(9)11-5(12-4)14-2(7)8/h2H,1H2.
What are the key properties of 2-chloro-4-(chloromethoxy)-6-(dichloromethoxy)-1,3,5-triazine?
2-chloro-4-(chloromethoxy)-6-(dichloromethoxy)-1,3,5-triazine has a molecular weight of 278.91 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(chloromethoxy)-6-(dichloromethoxy)-1,3,5-triazine is sourced from PubChem (CID 165351562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).