2,4-dibromo-6-(3-ethylphenyl)-1,3,5-triazine

C11H9Br2N3 — CID 88928804

IUPAC2,4-dibromo-6-(3-ethylphenyl)-1,3,5-triazine
SMILESCCc1cccc(-c2nc(Br)nc(Br)n2)c1
InChIInChI=1S/C11H9Br2N3/c1-2-7-4-3-5-8(6-7)9-14-10(12)16-11(13)15-9/h3-6H,2H2,1H3
InChIKeyQCQOOHSZDSKJIN-UHFFFAOYSA-N
MW343.02 g/mol
LogP3.63
Rot. Bonds2

About 2,4-dibromo-6-(3-ethylphenyl)-1,3,5-triazine

2,4-dibromo-6-(3-ethylphenyl)-1,3,5-triazine (PubChem CID 88928804) has the molecular formula C11H9Br2N3 and a molecular weight of 343.02 g/mol. Its IUPAC name is 2,4-dibromo-6-(3-ethylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dibromo-6-(3-ethylphenyl)-1,3,5-triazine
PubChem CID88928804
Molecular FormulaC11H9Br2N3
Molecular Weight343.02 g/mol
Exact Mass340.92
IUPAC Name2,4-dibromo-6-(3-ethylphenyl)-1,3,5-triazine
SMILESCCc1cccc(-c2nc(Br)nc(Br)n2)c1
InChIInChI=1S/C11H9Br2N3/c1-2-7-4-3-5-8(6-7)9-14-10(12)16-11(13)15-9/h3-6H,2H2,1H3
InChIKeyQCQOOHSZDSKJIN-UHFFFAOYSA-N
XLogP3.63
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.02
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-(3-ethylphenyl)-1,3,5-triazine?
The IUPAC name of 2,4-dibromo-6-(3-ethylphenyl)-1,3,5-triazine (CID 88928804) is 2,4-dibromo-6-(3-ethylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-dibromo-6-(3-ethylphenyl)-1,3,5-triazine?
The canonical SMILES for 2,4-dibromo-6-(3-ethylphenyl)-1,3,5-triazine is CCc1cccc(-c2nc(Br)nc(Br)n2)c1.
What is the InChIKey of 2,4-dibromo-6-(3-ethylphenyl)-1,3,5-triazine?
The InChIKey is QCQOOHSZDSKJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2N3/c1-2-7-4-3-5-8(6-7)9-14-10(12)16-11(13)15-9/h3-6H,2H2,1H3.
What are the key properties of 2,4-dibromo-6-(3-ethylphenyl)-1,3,5-triazine?
2,4-dibromo-6-(3-ethylphenyl)-1,3,5-triazine has a molecular weight of 343.02 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-(3-ethylphenyl)-1,3,5-triazine is sourced from PubChem (CID 88928804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).