pentanedioyl dichloride;2,4,6-trichloro-1,3,5-triazine

C8H6Cl5N3O2 — CID 146255266

IUPACpentanedioyl dichloride;2,4,6-trichloro-1,3,5-triazine
SMILESClc1nc(Cl)nc(Cl)n1.O=C(Cl)CCCC(=O)Cl
InChIInChI=1S/C5H6Cl2O2.C3Cl3N3/c6-4(8)2-1-3-5(7)9;4-1-7-2(5)9-3(6)8-1/h1-3H2;
InChIKeyUDVCDJFPOSRPOP-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.52
Rot. Bonds4

About pentanedioyl dichloride;2,4,6-trichloro-1,3,5-triazine

pentanedioyl dichloride;2,4,6-trichloro-1,3,5-triazine (PubChem CID 146255266) has the molecular formula C8H6Cl5N3O2 and a molecular weight of 353.42 g/mol. Its IUPAC name is pentanedioyl dichloride;2,4,6-trichloro-1,3,5-triazine.

Molecular Properties

Compound Namepentanedioyl dichloride;2,4,6-trichloro-1,3,5-triazine
PubChem CID146255266
Molecular FormulaC8H6Cl5N3O2
Molecular Weight353.42 g/mol
Exact Mass350.89
IUPAC Namepentanedioyl dichloride;2,4,6-trichloro-1,3,5-triazine
SMILESClc1nc(Cl)nc(Cl)n1.O=C(Cl)CCCC(=O)Cl
InChIInChI=1S/C5H6Cl2O2.C3Cl3N3/c6-4(8)2-1-3-5(7)9;4-1-7-2(5)9-3(6)8-1/h1-3H2;
InChIKeyUDVCDJFPOSRPOP-UHFFFAOYSA-N
XLogP3.52
TPSA72.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pentanedioyl dichloride;2,4,6-trichloro-1,3,5-triazine?
The IUPAC name of pentanedioyl dichloride;2,4,6-trichloro-1,3,5-triazine (CID 146255266) is pentanedioyl dichloride;2,4,6-trichloro-1,3,5-triazine.
What is the SMILES notation for pentanedioyl dichloride;2,4,6-trichloro-1,3,5-triazine?
The canonical SMILES for pentanedioyl dichloride;2,4,6-trichloro-1,3,5-triazine is Clc1nc(Cl)nc(Cl)n1.O=C(Cl)CCCC(=O)Cl.
What is the InChIKey of pentanedioyl dichloride;2,4,6-trichloro-1,3,5-triazine?
The InChIKey is UDVCDJFPOSRPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Cl2O2.C3Cl3N3/c6-4(8)2-1-3-5(7)9;4-1-7-2(5)9-3(6)8-1/h1-3H2;.
What are the key properties of pentanedioyl dichloride;2,4,6-trichloro-1,3,5-triazine?
pentanedioyl dichloride;2,4,6-trichloro-1,3,5-triazine has a molecular weight of 353.42 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pentanedioyl dichloride;2,4,6-trichloro-1,3,5-triazine is sourced from PubChem (CID 146255266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).