(2,6-dichloroanilino)azanium

C6H7Cl2N2+ — CID 3613968

IUPAC(2,6-dichloroanilino)azanium
SMILES[NH3+]Nc1c(Cl)cccc1Cl
InChIInChI=1S/C6H6Cl2N2/c7-4-2-1-3-5(8)6(4)10-9/h1-3,10H,9H2/p+1
InChIKeyIDTWYHVEGJBGPT-UHFFFAOYSA-O
MW178.04 g/mol
LogP1.56
Rot. Bonds1

About (2,6-dichloroanilino)azanium

(2,6-dichloroanilino)azanium (PubChem CID 3613968) has the molecular formula C6H7Cl2N2+ and a molecular weight of 178.04 g/mol. Its IUPAC name is (2,6-dichloroanilino)azanium.

Molecular Properties

Compound Name(2,6-dichloroanilino)azanium
PubChem CID3613968
Molecular FormulaC6H7Cl2N2+
Molecular Weight178.04 g/mol
Exact Mass177.00
IUPAC Name(2,6-dichloroanilino)azanium
SMILES[NH3+]Nc1c(Cl)cccc1Cl
InChIInChI=1S/C6H6Cl2N2/c7-4-2-1-3-5(8)6(4)10-9/h1-3,10H,9H2/p+1
InChIKeyIDTWYHVEGJBGPT-UHFFFAOYSA-O
XLogP1.56
TPSA39.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.04
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2,6-dichloroanilino)azanium 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 (2,6-dichloroanilino)azanium?
The IUPAC name of (2,6-dichloroanilino)azanium (CID 3613968) is (2,6-dichloroanilino)azanium.
What is the SMILES notation for (2,6-dichloroanilino)azanium?
The canonical SMILES for (2,6-dichloroanilino)azanium is [NH3+]Nc1c(Cl)cccc1Cl.
What is the InChIKey of (2,6-dichloroanilino)azanium?
The InChIKey is IDTWYHVEGJBGPT-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H6Cl2N2/c7-4-2-1-3-5(8)6(4)10-9/h1-3,10H,9H2/p+1.
What are the key properties of (2,6-dichloroanilino)azanium?
(2,6-dichloroanilino)azanium has a molecular weight of 178.04 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloroanilino)azanium is sourced from PubChem (CID 3613968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).