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

C10H7Cl2N3O — CID 13154903

IUPAC2,4-dichloro-6-(2-methylphenoxy)-1,3,5-triazine
SMILESCc1ccccc1Oc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C10H7Cl2N3O/c1-6-4-2-3-5-7(6)16-10-14-8(11)13-9(12)15-10/h2-5H,1H3
InChIKeyXNENFVLWGQMFFY-UHFFFAOYSA-N
MW256.09 g/mol
LogP3.28
Rot. Bonds2

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

2,4-dichloro-6-(2-methylphenoxy)-1,3,5-triazine (PubChem CID 13154903) has the molecular formula C10H7Cl2N3O and a molecular weight of 256.09 g/mol. Its IUPAC name is 2,4-dichloro-6-(2-methylphenoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(2-methylphenoxy)-1,3,5-triazine
PubChem CID13154903
Molecular FormulaC10H7Cl2N3O
Molecular Weight256.09 g/mol
Exact Mass255.00
IUPAC Name2,4-dichloro-6-(2-methylphenoxy)-1,3,5-triazine
SMILESCc1ccccc1Oc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C10H7Cl2N3O/c1-6-4-2-3-5-7(6)16-10-14-8(11)13-9(12)15-10/h2-5H,1H3
InChIKeyXNENFVLWGQMFFY-UHFFFAOYSA-N
XLogP3.28
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(2-methylphenoxy)-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(2-methylphenoxy)-1,3,5-triazine (CID 13154903) is 2,4-dichloro-6-(2-methylphenoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(2-methylphenoxy)-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(2-methylphenoxy)-1,3,5-triazine is Cc1ccccc1Oc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-(2-methylphenoxy)-1,3,5-triazine?
The InChIKey is XNENFVLWGQMFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O/c1-6-4-2-3-5-7(6)16-10-14-8(11)13-9(12)15-10/h2-5H,1H3.
What are the key properties of 2,4-dichloro-6-(2-methylphenoxy)-1,3,5-triazine?
2,4-dichloro-6-(2-methylphenoxy)-1,3,5-triazine has a molecular weight of 256.09 g/mol, XLogP of 3.28, 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-(2-methylphenoxy)-1,3,5-triazine is sourced from PubChem (CID 13154903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).