(2,6-dichloroanilino)azanium chloride

C6H7Cl3N2 — CID 2736046

IUPAC(2,6-dichloroanilino)azanium chloride
SMILES[Cl-].[NH3+]Nc1c(Cl)cccc1Cl
InChIInChI=1S/C6H6Cl2N2.ClH/c7-4-2-1-3-5(8)6(4)10-9;/h1-3,10H,9H2;1H
InChIKeyCQNIYLLTIOPFCJ-UHFFFAOYSA-N
MW213.50 g/mol
LogP-1.43
Rot. Bonds1

About (2,6-dichloroanilino)azanium chloride

(2,6-dichloroanilino)azanium chloride (PubChem CID 2736046) has the molecular formula C6H7Cl3N2 and a molecular weight of 213.50 g/mol. Its IUPAC name is (2,6-dichloroanilino)azanium chloride.

Molecular Properties

Compound Name(2,6-dichloroanilino)azanium chloride
PubChem CID2736046
Molecular FormulaC6H7Cl3N2
Molecular Weight213.50 g/mol
Exact Mass211.97
IUPAC Name(2,6-dichloroanilino)azanium chloride
SMILES[Cl-].[NH3+]Nc1c(Cl)cccc1Cl
InChIInChI=1S/C6H6Cl2N2.ClH/c7-4-2-1-3-5(8)6(4)10-9;/h1-3,10H,9H2;1H
InChIKeyCQNIYLLTIOPFCJ-UHFFFAOYSA-N
XLogP-1.43
TPSA39.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.50
LogP ≤ 5-1.43
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 chloride 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 chloride?
The IUPAC name of (2,6-dichloroanilino)azanium chloride (CID 2736046) is (2,6-dichloroanilino)azanium chloride.
What is the SMILES notation for (2,6-dichloroanilino)azanium chloride?
The canonical SMILES for (2,6-dichloroanilino)azanium chloride is [Cl-].[NH3+]Nc1c(Cl)cccc1Cl.
What is the InChIKey of (2,6-dichloroanilino)azanium chloride?
The InChIKey is CQNIYLLTIOPFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2.ClH/c7-4-2-1-3-5(8)6(4)10-9;/h1-3,10H,9H2;1H.
What are the key properties of (2,6-dichloroanilino)azanium chloride?
(2,6-dichloroanilino)azanium chloride has a molecular weight of 213.50 g/mol, XLogP of -1.43, 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 chloride is sourced from PubChem (CID 2736046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).