hydroxy-(1-hydroxy-1-phosphono-2-pyridin-1-ium-1-ylethyl)phosphinate

C7H11NO7P2 — CID 25023903

IUPAChydroxy-(1-hydroxy-1-phosphono-2-pyridin-1-ium-1-ylethyl)phosphinate
SMILESO=P([O-])(O)C(O)(C[n+]1ccccc1)P(=O)(O)O
InChIInChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)6-8-4-2-1-3-5-8/h1-5,9H,6H2,(H3-,10,11,12,13,14,15)
InChIKeyFQJFDJIGUURRGW-UHFFFAOYSA-N
MW283.11 g/mol
LogP-1.66
Rot. Bonds4

About hydroxy-(1-hydroxy-1-phosphono-2-pyridin-1-ium-1-ylethyl)phosphinate

hydroxy-(1-hydroxy-1-phosphono-2-pyridin-1-ium-1-ylethyl)phosphinate (PubChem CID 25023903) has the molecular formula C7H11NO7P2 and a molecular weight of 283.11 g/mol. Its IUPAC name is hydroxy-(1-hydroxy-1-phosphono-2-pyridin-1-ium-1-ylethyl)phosphinate.

Molecular Properties

Compound Namehydroxy-(1-hydroxy-1-phosphono-2-pyridin-1-ium-1-ylethyl)phosphinate
PubChem CID25023903
Molecular FormulaC7H11NO7P2
Molecular Weight283.11 g/mol
Exact Mass283.00
IUPAC Namehydroxy-(1-hydroxy-1-phosphono-2-pyridin-1-ium-1-ylethyl)phosphinate
SMILESO=P([O-])(O)C(O)(C[n+]1ccccc1)P(=O)(O)O
InChIInChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)6-8-4-2-1-3-5-8/h1-5,9H,6H2,(H3-,10,11,12,13,14,15)
InChIKeyFQJFDJIGUURRGW-UHFFFAOYSA-N
XLogP-1.66
TPSA142.00 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 5-1.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Risedronate
CID 5245
Risedronate Sodium
CID 4194514
NE-58018
CID 405372
Piridronic acid
CID 57637
Deoxy risedronic acid
CID 10468166
(Pyridin-2-ylmethyl)phosphonic Acid
CID 12730177
1-(Carboxymethyl)pyridinium chloride
CID 80439
N-Methylpyridinium
CID 13597
NE-58043
CID 406400
3-(2-Hydroxy-2,2-Diphosphonoethyl)-1-Methylpyridinium
CID 9847474
Bisphosphonate, 46
CID 11256897
(Pyridin-3-ylmethyl)phosphonic Acid
CID 14787578

Frequently Asked Questions

What is the IUPAC name of hydroxy-(1-hydroxy-1-phosphono-2-pyridin-1-ium-1-ylethyl)phosphinate?
The IUPAC name of hydroxy-(1-hydroxy-1-phosphono-2-pyridin-1-ium-1-ylethyl)phosphinate (CID 25023903) is hydroxy-(1-hydroxy-1-phosphono-2-pyridin-1-ium-1-ylethyl)phosphinate.
What is the SMILES notation for hydroxy-(1-hydroxy-1-phosphono-2-pyridin-1-ium-1-ylethyl)phosphinate?
The canonical SMILES for hydroxy-(1-hydroxy-1-phosphono-2-pyridin-1-ium-1-ylethyl)phosphinate is O=P([O-])(O)C(O)(C[n+]1ccccc1)P(=O)(O)O.
What is the InChIKey of hydroxy-(1-hydroxy-1-phosphono-2-pyridin-1-ium-1-ylethyl)phosphinate?
The InChIKey is FQJFDJIGUURRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)6-8-4-2-1-3-5-8/h1-5,9H,6H2,(H3-,10,11,12,13,14,15).
What are the key properties of hydroxy-(1-hydroxy-1-phosphono-2-pyridin-1-ium-1-ylethyl)phosphinate?
hydroxy-(1-hydroxy-1-phosphono-2-pyridin-1-ium-1-ylethyl)phosphinate has a molecular weight of 283.11 g/mol, XLogP of -1.66, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(1-hydroxy-1-phosphono-2-pyridin-1-ium-1-ylethyl)phosphinate is sourced from PubChem (CID 25023903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).