sodium cyano(methoxy)phosphinate

C2H3NNaO3P — CID 23678117

IUPACsodium cyano(methoxy)phosphinate
SMILESCOP(=O)([O-])C#N.[Na+]
InChIInChI=1S/C2H4NO3P.Na/c1-6-7(4,5)2-3;/h1H3,(H,4,5);/q;+1/p-1
InChIKeyBWETVQSATXFGKZ-UHFFFAOYSA-M
MW143.01 g/mol
LogP-3.33
Rot. Bonds1

About sodium cyano(methoxy)phosphinate

sodium cyano(methoxy)phosphinate (PubChem CID 23678117) has the molecular formula C2H3NNaO3P and a molecular weight of 143.01 g/mol. Its IUPAC name is sodium cyano(methoxy)phosphinate.

Molecular Properties

Compound Namesodium cyano(methoxy)phosphinate
PubChem CID23678117
Molecular FormulaC2H3NNaO3P
Molecular Weight143.01 g/mol
Exact Mass142.97
IUPAC Namesodium cyano(methoxy)phosphinate
SMILESCOP(=O)([O-])C#N.[Na+]
InChIInChI=1S/C2H4NO3P.Na/c1-6-7(4,5)2-3;/h1H3,(H,4,5);/q;+1/p-1
InChIKeyBWETVQSATXFGKZ-UHFFFAOYSA-M
XLogP-3.33
TPSA73.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.01
LogP ≤ 5-3.33
H-Bond Donors ≤ 50
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 sodium cyano(methoxy)phosphinate?
The IUPAC name of sodium cyano(methoxy)phosphinate (CID 23678117) is sodium cyano(methoxy)phosphinate.
What is the SMILES notation for sodium cyano(methoxy)phosphinate?
The canonical SMILES for sodium cyano(methoxy)phosphinate is COP(=O)([O-])C#N.[Na+].
What is the InChIKey of sodium cyano(methoxy)phosphinate?
The InChIKey is BWETVQSATXFGKZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4NO3P.Na/c1-6-7(4,5)2-3;/h1H3,(H,4,5);/q;+1/p-1.
What are the key properties of sodium cyano(methoxy)phosphinate?
sodium cyano(methoxy)phosphinate has a molecular weight of 143.01 g/mol, XLogP of -3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium cyano(methoxy)phosphinate is sourced from PubChem (CID 23678117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).