2,4-dichloro-6-(3-ethynylphenoxy)-1,3,5-triazine

C11H5Cl2N3O — CID 615561

IUPAC2,4-dichloro-6-(3-ethynylphenoxy)-1,3,5-triazine
SMILESC#Cc1cccc(Oc2nc(Cl)nc(Cl)n2)c1
InChIInChI=1S/C11H5Cl2N3O/c1-2-7-4-3-5-8(6-7)17-11-15-9(12)14-10(13)16-11/h1,3-6H
InChIKeyDUYDIOFLBJAUMX-UHFFFAOYSA-N
MW266.09 g/mol
LogP2.95
Rot. Bonds2

About 2,4-dichloro-6-(3-ethynylphenoxy)-1,3,5-triazine

2,4-dichloro-6-(3-ethynylphenoxy)-1,3,5-triazine (PubChem CID 615561) has the molecular formula C11H5Cl2N3O and a molecular weight of 266.09 g/mol. Its IUPAC name is 2,4-dichloro-6-(3-ethynylphenoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(3-ethynylphenoxy)-1,3,5-triazine
PubChem CID615561
Molecular FormulaC11H5Cl2N3O
Molecular Weight266.09 g/mol
Exact Mass264.98
IUPAC Name2,4-dichloro-6-(3-ethynylphenoxy)-1,3,5-triazine
SMILESC#Cc1cccc(Oc2nc(Cl)nc(Cl)n2)c1
InChIInChI=1S/C11H5Cl2N3O/c1-2-7-4-3-5-8(6-7)17-11-15-9(12)14-10(13)16-11/h1,3-6H
InChIKeyDUYDIOFLBJAUMX-UHFFFAOYSA-N
XLogP2.95
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.09
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(3-ethynylphenoxy)-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(3-ethynylphenoxy)-1,3,5-triazine (CID 615561) is 2,4-dichloro-6-(3-ethynylphenoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(3-ethynylphenoxy)-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(3-ethynylphenoxy)-1,3,5-triazine is C#Cc1cccc(Oc2nc(Cl)nc(Cl)n2)c1.
What is the InChIKey of 2,4-dichloro-6-(3-ethynylphenoxy)-1,3,5-triazine?
The InChIKey is DUYDIOFLBJAUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2N3O/c1-2-7-4-3-5-8(6-7)17-11-15-9(12)14-10(13)16-11/h1,3-6H.
What are the key properties of 2,4-dichloro-6-(3-ethynylphenoxy)-1,3,5-triazine?
2,4-dichloro-6-(3-ethynylphenoxy)-1,3,5-triazine has a molecular weight of 266.09 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(3-ethynylphenoxy)-1,3,5-triazine is sourced from PubChem (CID 615561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).