2,4-dichloro-6-(5-chloro-1-benzofuran-2-yl)-1,3,5-triazine

C11H4Cl3N3O — CID 114734218

IUPAC2,4-dichloro-6-(5-chloro-1-benzofuran-2-yl)-1,3,5-triazine
SMILESClc1ccc2oc(-c3nc(Cl)nc(Cl)n3)cc2c1
InChIInChI=1S/C11H4Cl3N3O/c12-6-1-2-7-5(3-6)4-8(18-7)9-15-10(13)17-11(14)16-9/h1-4H
InChIKeyFTZYKZUUDPNPEX-UHFFFAOYSA-N
MW300.53 g/mol
LogP4.24
Rot. Bonds1

About 2,4-dichloro-6-(5-chloro-1-benzofuran-2-yl)-1,3,5-triazine

2,4-dichloro-6-(5-chloro-1-benzofuran-2-yl)-1,3,5-triazine (PubChem CID 114734218) has the molecular formula C11H4Cl3N3O and a molecular weight of 300.53 g/mol. Its IUPAC name is 2,4-dichloro-6-(5-chloro-1-benzofuran-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(5-chloro-1-benzofuran-2-yl)-1,3,5-triazine
PubChem CID114734218
Molecular FormulaC11H4Cl3N3O
Molecular Weight300.53 g/mol
Exact Mass298.94
IUPAC Name2,4-dichloro-6-(5-chloro-1-benzofuran-2-yl)-1,3,5-triazine
SMILESClc1ccc2oc(-c3nc(Cl)nc(Cl)n3)cc2c1
InChIInChI=1S/C11H4Cl3N3O/c12-6-1-2-7-5(3-6)4-8(18-7)9-15-10(13)17-11(14)16-9/h1-4H
InChIKeyFTZYKZUUDPNPEX-UHFFFAOYSA-N
XLogP4.24
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.53
LogP ≤ 54.24
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-(5-chloro-1-benzofuran-2-yl)-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(5-chloro-1-benzofuran-2-yl)-1,3,5-triazine (CID 114734218) is 2,4-dichloro-6-(5-chloro-1-benzofuran-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(5-chloro-1-benzofuran-2-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(5-chloro-1-benzofuran-2-yl)-1,3,5-triazine is Clc1ccc2oc(-c3nc(Cl)nc(Cl)n3)cc2c1.
What is the InChIKey of 2,4-dichloro-6-(5-chloro-1-benzofuran-2-yl)-1,3,5-triazine?
The InChIKey is FTZYKZUUDPNPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Cl3N3O/c12-6-1-2-7-5(3-6)4-8(18-7)9-15-10(13)17-11(14)16-9/h1-4H.
What are the key properties of 2,4-dichloro-6-(5-chloro-1-benzofuran-2-yl)-1,3,5-triazine?
2,4-dichloro-6-(5-chloro-1-benzofuran-2-yl)-1,3,5-triazine has a molecular weight of 300.53 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(5-chloro-1-benzofuran-2-yl)-1,3,5-triazine is sourced from PubChem (CID 114734218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).