bis(dihydroxy(oxo)phosphanium);2-pyridin-3-ylethenol

C7H11NO7P2+2 — CID 159880051

IUPACbis(dihydroxy(oxo)phosphanium);2-pyridin-3-ylethenol
SMILESO=[P+](O)O.O=[P+](O)O.OC=Cc1cccnc1
InChIInChI=1S/C7H7NO.2HO3P/c9-5-3-7-2-1-4-8-6-7;2*1-4(2)3/h1-6,9H;2*(H-,1,2,3)/p+2
InChIKeyRLEMCCNPJIFXQD-UHFFFAOYSA-P
MW283.11 g/mol
LogP0.87
Rot. Bonds1

About bis(dihydroxy(oxo)phosphanium);2-pyridin-3-ylethenol

bis(dihydroxy(oxo)phosphanium);2-pyridin-3-ylethenol (PubChem CID 159880051) has the molecular formula C7H11NO7P2+2 and a molecular weight of 283.11 g/mol. Its IUPAC name is bis(dihydroxy(oxo)phosphanium);2-pyridin-3-ylethenol.

Molecular Properties

Compound Namebis(dihydroxy(oxo)phosphanium);2-pyridin-3-ylethenol
PubChem CID159880051
Molecular FormulaC7H11NO7P2+2
Molecular Weight283.11 g/mol
Exact Mass283.00
IUPAC Namebis(dihydroxy(oxo)phosphanium);2-pyridin-3-ylethenol
SMILESO=[P+](O)O.O=[P+](O)O.OC=Cc1cccnc1
InChIInChI=1S/C7H7NO.2HO3P/c9-5-3-7-2-1-4-8-6-7;2*1-4(2)3/h1-6,9H;2*(H-,1,2,3)/p+2
InChIKeyRLEMCCNPJIFXQD-UHFFFAOYSA-P
XLogP0.87
TPSA148.18 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 50.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze bis(dihydroxy(oxo)phosphanium);2-pyridin-3-ylethenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc
CID 175746701
CID 131858610
CID 131858610
3-[(E)-2-[3,5-bis[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine
CID 175663425
sodium (E)-3-pyridin-3-ylprop-2-enoate
CID 23685130
2,3,5,6-tetrakis[(E)-2-pyridin-3-ylethenyl]pyrazine
CID 19937846
3-(4-phenylbuta-1,3-dienyl)pyridine
CID 71359861
4-pyridin-3-ylbut-3-enoic acid
CID 439
ethane;(E)-3-pyridin-3-ylprop-2-enamide
CID 142465034
[(E)-2-pyridin-3-ylethenyl] thiohypochlorite
CID 142599009
3-[(E)-2-(benzenesulfonyl)ethenyl]pyridine
CID 11817425
(E)-1-phenyl-3-pyridin-3-ylprop-2-en-1-one
CID 5354062
N-methyl-3-pyridin-3-ylprop-2-enamide
CID 73116356

Frequently Asked Questions

What is the IUPAC name of bis(dihydroxy(oxo)phosphanium);2-pyridin-3-ylethenol?
The IUPAC name of bis(dihydroxy(oxo)phosphanium);2-pyridin-3-ylethenol (CID 159880051) is bis(dihydroxy(oxo)phosphanium);2-pyridin-3-ylethenol.
What is the SMILES notation for bis(dihydroxy(oxo)phosphanium);2-pyridin-3-ylethenol?
The canonical SMILES for bis(dihydroxy(oxo)phosphanium);2-pyridin-3-ylethenol is O=[P+](O)O.O=[P+](O)O.OC=Cc1cccnc1.
What is the InChIKey of bis(dihydroxy(oxo)phosphanium);2-pyridin-3-ylethenol?
The InChIKey is RLEMCCNPJIFXQD-UHFFFAOYSA-P. The full InChI is InChI=1S/C7H7NO.2HO3P/c9-5-3-7-2-1-4-8-6-7;2*1-4(2)3/h1-6,9H;2*(H-,1,2,3)/p+2.
What are the key properties of bis(dihydroxy(oxo)phosphanium);2-pyridin-3-ylethenol?
bis(dihydroxy(oxo)phosphanium);2-pyridin-3-ylethenol has a molecular weight of 283.11 g/mol, XLogP of 0.87, 1 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dihydroxy(oxo)phosphanium);2-pyridin-3-ylethenol is sourced from PubChem (CID 159880051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).