amino(anilino)phosphinic acid

C6H9N2O2P — CID 19104025

IUPACamino(anilino)phosphinic acid
SMILESNP(=O)(O)Nc1ccccc1
InChIInChI=1S/C6H9N2O2P/c7-11(9,10)8-6-4-2-1-3-5-6/h1-5H,(H4,7,8,9,10)
InChIKeyRTIBQMSSSJYWIE-UHFFFAOYSA-N
MW172.12 g/mol
LogP1.16
Rot. Bonds2

About amino(anilino)phosphinic acid

amino(anilino)phosphinic acid (PubChem CID 19104025) has the molecular formula C6H9N2O2P and a molecular weight of 172.12 g/mol. Its IUPAC name is amino(anilino)phosphinic acid.

Molecular Properties

Compound Nameamino(anilino)phosphinic acid
PubChem CID19104025
Molecular FormulaC6H9N2O2P
Molecular Weight172.12 g/mol
Exact Mass172.04
IUPAC Nameamino(anilino)phosphinic acid
SMILESNP(=O)(O)Nc1ccccc1
InChIInChI=1S/C6H9N2O2P/c7-11(9,10)8-6-4-2-1-3-5-6/h1-5H,(H4,7,8,9,10)
InChIKeyRTIBQMSSSJYWIE-UHFFFAOYSA-N
XLogP1.16
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.12
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of amino(anilino)phosphinic acid?
The IUPAC name of amino(anilino)phosphinic acid (CID 19104025) is amino(anilino)phosphinic acid.
What is the SMILES notation for amino(anilino)phosphinic acid?
The canonical SMILES for amino(anilino)phosphinic acid is NP(=O)(O)Nc1ccccc1.
What is the InChIKey of amino(anilino)phosphinic acid?
The InChIKey is RTIBQMSSSJYWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N2O2P/c7-11(9,10)8-6-4-2-1-3-5-6/h1-5H,(H4,7,8,9,10).
What are the key properties of amino(anilino)phosphinic acid?
amino(anilino)phosphinic acid has a molecular weight of 172.12 g/mol, XLogP of 1.16, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for amino(anilino)phosphinic acid is sourced from PubChem (CID 19104025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).