Anilinium hydrogen phosphite

C6H9NO3P+ — CID 6328245

IUPAC—
SMILESO=P(=O)O.[NH3+]c1ccccc1
InChIInChI=1S/C6H7N.HO3P/c7-6-4-2-1-3-5-6;1-4(2)3/h1-5H,7H2;(H,1,2,3)/p+1
InChIKeyMFZHIZHQOBGKFY-UHFFFAOYSA-O
MW174.12 g/mol
LogP0.63
Rot. Bonds

About Anilinium hydrogen phosphite

Anilinium hydrogen phosphite (PubChem CID 6328245) has the molecular formula C6H9NO3P+ and a molecular weight of 174.12 g/mol.

Molecular Properties

Compound NameAnilinium hydrogen phosphite
PubChem CID6328245
Molecular FormulaC6H9NO3P+
Molecular Weight174.12 g/mol
Exact Mass174.03
IUPAC Name—
SMILESO=P(=O)O.[NH3+]c1ccccc1
InChIInChI=1S/C6H7N.HO3P/c7-6-4-2-1-3-5-6;1-4(2)3/h1-5H,7H2;(H,1,2,3)/p+1
InChIKeyMFZHIZHQOBGKFY-UHFFFAOYSA-O
XLogP0.63
TPSA82.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.12
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze Anilinium hydrogen phosphite 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 Anilinium hydrogen phosphite?
The IUPAC name of Anilinium hydrogen phosphite (CID 6328245) is not available.
What is the SMILES notation for Anilinium hydrogen phosphite?
The canonical SMILES for Anilinium hydrogen phosphite is O=P(=O)O.[NH3+]c1ccccc1.
What is the InChIKey of Anilinium hydrogen phosphite?
The InChIKey is MFZHIZHQOBGKFY-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H7N.HO3P/c7-6-4-2-1-3-5-6;1-4(2)3/h1-5H,7H2;(H,1,2,3)/p+1.
What are the key properties of Anilinium hydrogen phosphite?
Anilinium hydrogen phosphite has a molecular weight of 174.12 g/mol, XLogP of 0.63, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Anilinium hydrogen phosphite is sourced from PubChem (CID 6328245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).