[amino(pyridin-2-yloxy)phosphoryl]phosphonic acid

C5H8N2O5P2 — CID 91127748

IUPAC[amino(pyridin-2-yloxy)phosphoryl]phosphonic acid
SMILESNP(=O)(Oc1ccccn1)P(=O)(O)O
InChIInChI=1S/C5H8N2O5P2/c6-13(8,14(9,10)11)12-5-3-1-2-4-7-5/h1-4H,(H2,6,8)(H2,9,10,11)
InChIKeyYKGPMNZLAAECKO-UHFFFAOYSA-N
MW238.08 g/mol
LogP0.70
Rot. Bonds3

About [amino(pyridin-2-yloxy)phosphoryl]phosphonic acid

[amino(pyridin-2-yloxy)phosphoryl]phosphonic acid (PubChem CID 91127748) has the molecular formula C5H8N2O5P2 and a molecular weight of 238.08 g/mol. Its IUPAC name is [amino(pyridin-2-yloxy)phosphoryl]phosphonic acid.

Molecular Properties

Compound Name[amino(pyridin-2-yloxy)phosphoryl]phosphonic acid
PubChem CID91127748
Molecular FormulaC5H8N2O5P2
Molecular Weight238.08 g/mol
Exact Mass237.99
IUPAC Name[amino(pyridin-2-yloxy)phosphoryl]phosphonic acid
SMILESNP(=O)(Oc1ccccn1)P(=O)(O)O
InChIInChI=1S/C5H8N2O5P2/c6-13(8,14(9,10)11)12-5-3-1-2-4-7-5/h1-4H,(H2,6,8)(H2,9,10,11)
InChIKeyYKGPMNZLAAECKO-UHFFFAOYSA-N
XLogP0.70
TPSA122.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.08
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[amino(hydroxy)phosphinothioyl]oxypyridine
CID 149253940
amino pyridin-2-yl hydrogen phosphate
CID 177471611
2-[amino(ethoxy)phosphinothioyl]oxypyridine
CID 54273491
dipyridin-2-yl carbonate
CID 2757370
dimethoxy-pyridin-2-yloxy-sulfanylidene-λ5-phosphane
CID 56627944
chloro ethyl pyridin-2-yl phosphate
CID 21223098
2,2,4,4,6,6-hexapyridin-2-yloxy-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene
CID 15773722
dicopper;tetrakis(hydroxy(pyridin-2-yl)phosphinate)
CID 139152529
CID 175111854
CID 175111854
2-methoxypyridine
CID 71774587
pyridin-2-yl ethaneperoxoate
CID 87694158
2-methoxypyridine;hydrobromide
CID 157413143

Frequently Asked Questions

What is the IUPAC name of [amino(pyridin-2-yloxy)phosphoryl]phosphonic acid?
The IUPAC name of [amino(pyridin-2-yloxy)phosphoryl]phosphonic acid (CID 91127748) is [amino(pyridin-2-yloxy)phosphoryl]phosphonic acid.
What is the SMILES notation for [amino(pyridin-2-yloxy)phosphoryl]phosphonic acid?
The canonical SMILES for [amino(pyridin-2-yloxy)phosphoryl]phosphonic acid is NP(=O)(Oc1ccccn1)P(=O)(O)O.
What is the InChIKey of [amino(pyridin-2-yloxy)phosphoryl]phosphonic acid?
The InChIKey is YKGPMNZLAAECKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O5P2/c6-13(8,14(9,10)11)12-5-3-1-2-4-7-5/h1-4H,(H2,6,8)(H2,9,10,11).
What are the key properties of [amino(pyridin-2-yloxy)phosphoryl]phosphonic acid?
[amino(pyridin-2-yloxy)phosphoryl]phosphonic acid has a molecular weight of 238.08 g/mol, XLogP of 0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(pyridin-2-yloxy)phosphoryl]phosphonic acid is sourced from PubChem (CID 91127748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).