[phosphono-[(4-thiophen-3-yl-2-pyridinyl)amino]methyl]phosphonic acid

C10H12N2O6P2S — CID 54673852

IUPAC[phosphono-[(4-thiophen-3-yl-2-pyridinyl)amino]methyl]phosphonic acid
SMILESO=P(O)(O)C(Nc1cc(-c2ccsc2)ccn1)P(=O)(O)O
InChIInChI=1S/C10H12N2O6P2S/c13-19(14,15)10(20(16,17)18)12-9-5-7(1-3-11-9)8-2-4-21-6-8/h1-6,10H,(H,11,12)(H2,13,14,15)(H2,16,17,18)
InChIKeyFOHSEWWYXRAELI-UHFFFAOYSA-N
MW350.23 g/mol
LogP1.86
Rot. Bonds5

About [phosphono-[(4-thiophen-3-yl-2-pyridinyl)amino]methyl]phosphonic acid

[phosphono-[(4-thiophen-3-yl-2-pyridinyl)amino]methyl]phosphonic acid (PubChem CID 54673852) has the molecular formula C10H12N2O6P2S and a molecular weight of 350.23 g/mol. Its IUPAC name is [phosphono-[(4-thiophen-3-yl-2-pyridinyl)amino]methyl]phosphonic acid.

Molecular Properties

Compound Name[phosphono-[(4-thiophen-3-yl-2-pyridinyl)amino]methyl]phosphonic acid
PubChem CID54673852
Molecular FormulaC10H12N2O6P2S
Molecular Weight350.23 g/mol
Exact Mass349.99
IUPAC Name[phosphono-[(4-thiophen-3-yl-2-pyridinyl)amino]methyl]phosphonic acid
SMILESO=P(O)(O)C(Nc1cc(-c2ccsc2)ccn1)P(=O)(O)O
InChIInChI=1S/C10H12N2O6P2S/c13-19(14,15)10(20(16,17)18)12-9-5-7(1-3-11-9)8-2-4-21-6-8/h1-6,10H,(H,11,12)(H2,13,14,15)(H2,16,17,18)
InChIKeyFOHSEWWYXRAELI-UHFFFAOYSA-N
XLogP1.86
TPSA139.98 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 51.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [phosphono-[(4-thiophen-3-yl-2-pyridinyl)amino]methyl]phosphonic acid 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 [phosphono-[(4-thiophen-3-yl-2-pyridinyl)amino]methyl]phosphonic acid?
The IUPAC name of [phosphono-[(4-thiophen-3-yl-2-pyridinyl)amino]methyl]phosphonic acid (CID 54673852) is [phosphono-[(4-thiophen-3-yl-2-pyridinyl)amino]methyl]phosphonic acid.
What is the SMILES notation for [phosphono-[(4-thiophen-3-yl-2-pyridinyl)amino]methyl]phosphonic acid?
The canonical SMILES for [phosphono-[(4-thiophen-3-yl-2-pyridinyl)amino]methyl]phosphonic acid is O=P(O)(O)C(Nc1cc(-c2ccsc2)ccn1)P(=O)(O)O.
What is the InChIKey of [phosphono-[(4-thiophen-3-yl-2-pyridinyl)amino]methyl]phosphonic acid?
The InChIKey is FOHSEWWYXRAELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O6P2S/c13-19(14,15)10(20(16,17)18)12-9-5-7(1-3-11-9)8-2-4-21-6-8/h1-6,10H,(H,11,12)(H2,13,14,15)(H2,16,17,18).
What are the key properties of [phosphono-[(4-thiophen-3-yl-2-pyridinyl)amino]methyl]phosphonic acid?
[phosphono-[(4-thiophen-3-yl-2-pyridinyl)amino]methyl]phosphonic acid has a molecular weight of 350.23 g/mol, XLogP of 1.86, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [phosphono-[(4-thiophen-3-yl-2-pyridinyl)amino]methyl]phosphonic acid is sourced from PubChem (CID 54673852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).