chloro-[4-(dimethylamino)pyridin-1-ium-1-yl]phosphinate

C7H10ClN2O2P — CID 15628426

IUPACchloro-[4-(dimethylamino)pyridin-1-ium-1-yl]phosphinate
SMILESCN(C)c1cc[n+](P(=O)([O-])Cl)cc1
InChIInChI=1S/C7H10ClN2O2P/c1-9(2)7-3-5-10(6-4-7)13(8,11)12/h3-6H,1-2H3
InChIKeySXEZHTPROLBUDU-UHFFFAOYSA-N
MW220.60 g/mol
LogP0.60
Rot. Bonds2

About chloro-[4-(dimethylamino)pyridin-1-ium-1-yl]phosphinate

chloro-[4-(dimethylamino)pyridin-1-ium-1-yl]phosphinate (PubChem CID 15628426) has the molecular formula C7H10ClN2O2P and a molecular weight of 220.60 g/mol. Its IUPAC name is chloro-[4-(dimethylamino)pyridin-1-ium-1-yl]phosphinate.

Molecular Properties

Compound Namechloro-[4-(dimethylamino)pyridin-1-ium-1-yl]phosphinate
PubChem CID15628426
Molecular FormulaC7H10ClN2O2P
Molecular Weight220.60 g/mol
Exact Mass220.02
IUPAC Namechloro-[4-(dimethylamino)pyridin-1-ium-1-yl]phosphinate
SMILESCN(C)c1cc[n+](P(=O)([O-])Cl)cc1
InChIInChI=1S/C7H10ClN2O2P/c1-9(2)7-3-5-10(6-4-7)13(8,11)12/h3-6H,1-2H3
InChIKeySXEZHTPROLBUDU-UHFFFAOYSA-N
XLogP0.60
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.60
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_het_A(9)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloro-[4-(dimethylamino)pyridin-1-ium-1-yl]phosphinate?
The IUPAC name of chloro-[4-(dimethylamino)pyridin-1-ium-1-yl]phosphinate (CID 15628426) is chloro-[4-(dimethylamino)pyridin-1-ium-1-yl]phosphinate.
What is the SMILES notation for chloro-[4-(dimethylamino)pyridin-1-ium-1-yl]phosphinate?
The canonical SMILES for chloro-[4-(dimethylamino)pyridin-1-ium-1-yl]phosphinate is CN(C)c1cc[n+](P(=O)([O-])Cl)cc1.
What is the InChIKey of chloro-[4-(dimethylamino)pyridin-1-ium-1-yl]phosphinate?
The InChIKey is SXEZHTPROLBUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN2O2P/c1-9(2)7-3-5-10(6-4-7)13(8,11)12/h3-6H,1-2H3.
What are the key properties of chloro-[4-(dimethylamino)pyridin-1-ium-1-yl]phosphinate?
chloro-[4-(dimethylamino)pyridin-1-ium-1-yl]phosphinate has a molecular weight of 220.60 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[4-(dimethylamino)pyridin-1-ium-1-yl]phosphinate is sourced from PubChem (CID 15628426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).