2,3,4,5,6-pentachloroaniline

C6H2Cl5N — CID 10693

IUPAC2,3,4,5,6-pentachloroaniline
SMILESNc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C6H2Cl5N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2
InChIKeyKHCZSJXTDDHLGJ-UHFFFAOYSA-N
MW265.35 g/mol
LogP4.54
Rot. Bonds

About 2,3,4,5,6-pentachloroaniline

2,3,4,5,6-pentachloroaniline (PubChem CID 10693) has the molecular formula C6H2Cl5N and a molecular weight of 265.35 g/mol. Its IUPAC name is 2,3,4,5,6-pentachloroaniline.

Molecular Properties

Compound Name2,3,4,5,6-pentachloroaniline
PubChem CID10693
Molecular FormulaC6H2Cl5N
Molecular Weight265.35 g/mol
Exact Mass262.86
IUPAC Name2,3,4,5,6-pentachloroaniline
SMILESNc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C6H2Cl5N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2
InChIKeyKHCZSJXTDDHLGJ-UHFFFAOYSA-N
XLogP4.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2,3,4,5,6-pentachloroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentachloroaniline?
The IUPAC name of 2,3,4,5,6-pentachloroaniline (CID 10693) is 2,3,4,5,6-pentachloroaniline.
What is the SMILES notation for 2,3,4,5,6-pentachloroaniline?
The canonical SMILES for 2,3,4,5,6-pentachloroaniline is Nc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 2,3,4,5,6-pentachloroaniline?
The InChIKey is KHCZSJXTDDHLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl5N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2.
What are the key properties of 2,3,4,5,6-pentachloroaniline?
2,3,4,5,6-pentachloroaniline has a molecular weight of 265.35 g/mol, XLogP of 4.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentachloroaniline is sourced from PubChem (CID 10693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).