sodium oxido-oxo-pyridin-3-yloxyphosphanium

C5H4NNaO3P+ — CID 141390427

IUPACsodium oxido-oxo-pyridin-3-yloxyphosphanium
SMILESO=[P+]([O-])Oc1cccnc1.[Na+]
InChIInChI=1S/C5H4NO3P.Na/c7-10(8)9-5-2-1-3-6-4-5;/h1-4H;/q;+1
InChIKeyOUDQIDSHHWMJKX-UHFFFAOYSA-N
MW180.06 g/mol
LogP-2.52
Rot. Bonds2

About sodium oxido-oxo-pyridin-3-yloxyphosphanium

sodium oxido-oxo-pyridin-3-yloxyphosphanium (PubChem CID 141390427) has the molecular formula C5H4NNaO3P+ and a molecular weight of 180.06 g/mol. Its IUPAC name is sodium oxido-oxo-pyridin-3-yloxyphosphanium.

Molecular Properties

Compound Namesodium oxido-oxo-pyridin-3-yloxyphosphanium
PubChem CID141390427
Molecular FormulaC5H4NNaO3P+
Molecular Weight180.06 g/mol
Exact Mass179.98
IUPAC Namesodium oxido-oxo-pyridin-3-yloxyphosphanium
SMILESO=[P+]([O-])Oc1cccnc1.[Na+]
InChIInChI=1S/C5H4NO3P.Na/c7-10(8)9-5-2-1-3-6-4-5;/h1-4H;/q;+1
InChIKeyOUDQIDSHHWMJKX-UHFFFAOYSA-N
XLogP-2.52
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.06
LogP ≤ 5-2.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

pyridin-3-yl hypochlorite
CID 91164948
oxo(dipyridin-3-yl)phosphanium
CID 150603186
pyridin-3-yl hydrogen sulfite
CID 68912651
pyridin-3-yl sulfamate
CID 130625844
guanidine;pyridin-3-yl nitrate
CID 173434009
2,3-dipyridin-3-yloxypyrazine
CID 139072759
1,3-diaminourea;3-methoxypyridine
CID 175323453
3-bromo-4-pyridin-3-yloxypyridine
CID 11779936
tripyridin-3-yl benzene-1,3,5-tricarboxylate
CID 102031459
[methylamino(pyridin-3-yl)methyl]-oxido-oxophosphanium
CID 6379405
3-(2-bromopropan-2-yloxy)pyridine
CID 174735285
pyridin-3-olate
CID 14387722

Frequently Asked Questions

What is the IUPAC name of sodium oxido-oxo-pyridin-3-yloxyphosphanium?
The IUPAC name of sodium oxido-oxo-pyridin-3-yloxyphosphanium (CID 141390427) is sodium oxido-oxo-pyridin-3-yloxyphosphanium.
What is the SMILES notation for sodium oxido-oxo-pyridin-3-yloxyphosphanium?
The canonical SMILES for sodium oxido-oxo-pyridin-3-yloxyphosphanium is O=[P+]([O-])Oc1cccnc1.[Na+].
What is the InChIKey of sodium oxido-oxo-pyridin-3-yloxyphosphanium?
The InChIKey is OUDQIDSHHWMJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4NO3P.Na/c7-10(8)9-5-2-1-3-6-4-5;/h1-4H;/q;+1.
What are the key properties of sodium oxido-oxo-pyridin-3-yloxyphosphanium?
sodium oxido-oxo-pyridin-3-yloxyphosphanium has a molecular weight of 180.06 g/mol, XLogP of -2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium oxido-oxo-pyridin-3-yloxyphosphanium is sourced from PubChem (CID 141390427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).