[6-(6-phosphono-2-pyridinyl)-2-pyridinyl]phosphonic acid

C10H10N2O6P2 — CID 11709459

IUPAC[6-(6-phosphono-2-pyridinyl)-2-pyridinyl]phosphonic acid
SMILESO=P(O)(O)c1cccc(-c2cccc(P(=O)(O)O)n2)n1
InChIInChI=1S/C10H10N2O6P2/c13-19(14,15)9-5-1-3-7(11-9)8-4-2-6-10(12-8)20(16,17)18/h1-6H,(H2,13,14,15)(H2,16,17,18)
InChIKeyPKQWHTCGDMUOSE-UHFFFAOYSA-N
MW316.15 g/mol
LogP-0.25
Rot. Bonds3

About [6-(6-phosphono-2-pyridinyl)-2-pyridinyl]phosphonic acid

[6-(6-phosphono-2-pyridinyl)-2-pyridinyl]phosphonic acid (PubChem CID 11709459) has the molecular formula C10H10N2O6P2 and a molecular weight of 316.15 g/mol. Its IUPAC name is [6-(6-phosphono-2-pyridinyl)-2-pyridinyl]phosphonic acid.

Molecular Properties

Compound Name[6-(6-phosphono-2-pyridinyl)-2-pyridinyl]phosphonic acid
PubChem CID11709459
Molecular FormulaC10H10N2O6P2
Molecular Weight316.15 g/mol
Exact Mass316.00
IUPAC Name[6-(6-phosphono-2-pyridinyl)-2-pyridinyl]phosphonic acid
SMILESO=P(O)(O)c1cccc(-c2cccc(P(=O)(O)O)n2)n1
InChIInChI=1S/C10H10N2O6P2/c13-19(14,15)9-5-1-3-7(11-9)8-4-2-6-10(12-8)20(16,17)18/h1-6H,(H2,13,14,15)(H2,16,17,18)
InChIKeyPKQWHTCGDMUOSE-UHFFFAOYSA-N
XLogP-0.25
TPSA140.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 5-0.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-(6-phosphono-2-pyridinyl)-2-pyridinyl]phosphonic acid?
The IUPAC name of [6-(6-phosphono-2-pyridinyl)-2-pyridinyl]phosphonic acid (CID 11709459) is [6-(6-phosphono-2-pyridinyl)-2-pyridinyl]phosphonic acid.
What is the SMILES notation for [6-(6-phosphono-2-pyridinyl)-2-pyridinyl]phosphonic acid?
The canonical SMILES for [6-(6-phosphono-2-pyridinyl)-2-pyridinyl]phosphonic acid is O=P(O)(O)c1cccc(-c2cccc(P(=O)(O)O)n2)n1.
What is the InChIKey of [6-(6-phosphono-2-pyridinyl)-2-pyridinyl]phosphonic acid?
The InChIKey is PKQWHTCGDMUOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O6P2/c13-19(14,15)9-5-1-3-7(11-9)8-4-2-6-10(12-8)20(16,17)18/h1-6H,(H2,13,14,15)(H2,16,17,18).
What are the key properties of [6-(6-phosphono-2-pyridinyl)-2-pyridinyl]phosphonic acid?
[6-(6-phosphono-2-pyridinyl)-2-pyridinyl]phosphonic acid has a molecular weight of 316.15 g/mol, XLogP of -0.25, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(6-phosphono-2-pyridinyl)-2-pyridinyl]phosphonic acid is sourced from PubChem (CID 11709459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).