(4-chloroanilino)azanium

C6H8ClN2+ — CID 3818592

IUPAC(4-chloroanilino)azanium
SMILES[NH3+]Nc1ccc(Cl)cc1
InChIInChI=1S/C6H7ClN2/c7-5-1-3-6(9-8)4-2-5/h1-4,9H,8H2/p+1
InChIKeyXXNOGQJZAOXWAQ-UHFFFAOYSA-O
MW143.60 g/mol
LogP0.91
Rot. Bonds1

About (4-chloroanilino)azanium

(4-chloroanilino)azanium (PubChem CID 3818592) has the molecular formula C6H8ClN2+ and a molecular weight of 143.60 g/mol. Its IUPAC name is (4-chloroanilino)azanium.

Molecular Properties

Compound Name(4-chloroanilino)azanium
PubChem CID3818592
Molecular FormulaC6H8ClN2+
Molecular Weight143.60 g/mol
Exact Mass143.04
IUPAC Name(4-chloroanilino)azanium
SMILES[NH3+]Nc1ccc(Cl)cc1
InChIInChI=1S/C6H7ClN2/c7-5-1-3-6(9-8)4-2-5/h1-4,9H,8H2/p+1
InChIKeyXXNOGQJZAOXWAQ-UHFFFAOYSA-O
XLogP0.91
TPSA39.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.60
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-chloroanilino)azanium?
The IUPAC name of (4-chloroanilino)azanium (CID 3818592) is (4-chloroanilino)azanium.
What is the SMILES notation for (4-chloroanilino)azanium?
The canonical SMILES for (4-chloroanilino)azanium is [NH3+]Nc1ccc(Cl)cc1.
What is the InChIKey of (4-chloroanilino)azanium?
The InChIKey is XXNOGQJZAOXWAQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H7ClN2/c7-5-1-3-6(9-8)4-2-5/h1-4,9H,8H2/p+1.
What are the key properties of (4-chloroanilino)azanium?
(4-chloroanilino)azanium has a molecular weight of 143.60 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloroanilino)azanium is sourced from PubChem (CID 3818592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).