1-[dichloro(trimethylsilylimino)-λ5-phosphanyl]-N,N-dimethylpyridin-1-ium-4-amine;trifluoromethanesulfonate

C11H19Cl2F3N3O3PSSi — CID 139113883

IUPAC1-[dichloro(trimethylsilylimino)-λ5-phosphanyl]-N,N-dimethylpyridin-1-ium-4-amine;trifluoromethanesulfonate
SMILESCN(C)c1cc[n+](P(Cl)(Cl)=N[Si](C)(C)C)cc1.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C10H19Cl2N3PSi.CHF3O3S/c1-14(2)10-6-8-15(9-7-10)16(11,12)13-17(3,4)5;2-1(3,4)8(5,6)7/h6-9H,1-5H3;(H,5,6,7)/q+1;/p-1
InChIKeyKYJVPUURZNVUNW-UHFFFAOYSA-M
MW460.32 g/mol
LogP4.20
Rot. Bonds3

About 1-[dichloro(trimethylsilylimino)-λ5-phosphanyl]-N,N-dimethylpyridin-1-ium-4-amine;trifluoromethanesulfonate

1-[dichloro(trimethylsilylimino)-λ5-phosphanyl]-N,N-dimethylpyridin-1-ium-4-amine;trifluoromethanesulfonate (PubChem CID 139113883) has the molecular formula C11H19Cl2F3N3O3PSSi and a molecular weight of 460.32 g/mol. Its IUPAC name is 1-[dichloro(trimethylsilylimino)-λ5-phosphanyl]-N,N-dimethylpyridin-1-ium-4-amine;trifluoromethanesulfonate.

Molecular Properties

Compound Name1-[dichloro(trimethylsilylimino)-λ5-phosphanyl]-N,N-dimethylpyridin-1-ium-4-amine;trifluoromethanesulfonate
PubChem CID139113883
Molecular FormulaC11H19Cl2F3N3O3PSSi
Molecular Weight460.32 g/mol
Exact Mass459.00
IUPAC Name1-[dichloro(trimethylsilylimino)-λ5-phosphanyl]-N,N-dimethylpyridin-1-ium-4-amine;trifluoromethanesulfonate
SMILESCN(C)c1cc[n+](P(Cl)(Cl)=N[Si](C)(C)C)cc1.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C10H19Cl2N3PSi.CHF3O3S/c1-14(2)10-6-8-15(9-7-10)16(11,12)13-17(3,4)5;2-1(3,4)8(5,6)7/h6-9H,1-5H3;(H,5,6,7)/q+1;/p-1
InChIKeyKYJVPUURZNVUNW-UHFFFAOYSA-M
XLogP4.20
TPSA76.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.32
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze 1-[dichloro(trimethylsilylimino)-λ5-phosphanyl]-N,N-dimethylpyridin-1-ium-4-amine;trifluoromethanesulfonate with MolForge

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Related Compounds

4-Dimethylaminopyridinium triflate
CID 18792629
trifluoromethyl-N-4-pyridylsulphonamide
CID 18999207
4-(Dimethylamino)-1-((trifluoromethyl)sulfonyl)pyridin-1-ium trifluoromethanesulfonate
CID 118877769
pyridine, 4-(N-methylmethanesulphonamido)-
CID 23422276
N-trimethylsilylpyridinium triflate
CID 10902688
Tert-butyl-dimethyl-[(1-methylpyridin-1-ium-4-yl)methyl]silane;trifluoromethanesulfonate
CID 11406102
N-trimethylsilylmethylpyridinium trifluoromethanesulfonate
CID 13224828
[2-(Dimethylamino)-3-pyridin-1-ium-1-ylcycloprop-2-en-1-ylidene]-dimethylazanium;bis(trifluoromethanesulfonate)
CID 14225928
1-Butyl-4-(dimethylamino)pyridinium bis(trifluoromethane)sulfonimide
CID 129842409
Trifluoromethanesulfonate;trimethyl(pyridin-1-ium-1-ylmethoxy)silane
CID 134886401
4-(Dimethylamino)-1-(trimethylsilyl)pyridin-1-ium trifluoromethanesulfonate
CID 134913925
bis(dichloromethane);1-[[4-(dimethylamino)pyridin-1-ium-1-yl]-dimethylsilyl]-N,N-dimethylpyridin-1-ium-4-amine;bis(trifluoromethanesulfonate)
CID 139185241

Frequently Asked Questions

What is the IUPAC name of 1-[dichloro(trimethylsilylimino)-λ5-phosphanyl]-N,N-dimethylpyridin-1-ium-4-amine;trifluoromethanesulfonate?
The IUPAC name of 1-[dichloro(trimethylsilylimino)-λ5-phosphanyl]-N,N-dimethylpyridin-1-ium-4-amine;trifluoromethanesulfonate (CID 139113883) is 1-[dichloro(trimethylsilylimino)-λ5-phosphanyl]-N,N-dimethylpyridin-1-ium-4-amine;trifluoromethanesulfonate.
What is the SMILES notation for 1-[dichloro(trimethylsilylimino)-λ5-phosphanyl]-N,N-dimethylpyridin-1-ium-4-amine;trifluoromethanesulfonate?
The canonical SMILES for 1-[dichloro(trimethylsilylimino)-λ5-phosphanyl]-N,N-dimethylpyridin-1-ium-4-amine;trifluoromethanesulfonate is CN(C)c1cc[n+](P(Cl)(Cl)=N[Si](C)(C)C)cc1.O=S(=O)([O-])C(F)(F)F.
What is the InChIKey of 1-[dichloro(trimethylsilylimino)-λ5-phosphanyl]-N,N-dimethylpyridin-1-ium-4-amine;trifluoromethanesulfonate?
The InChIKey is KYJVPUURZNVUNW-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H19Cl2N3PSi.CHF3O3S/c1-14(2)10-6-8-15(9-7-10)16(11,12)13-17(3,4)5;2-1(3,4)8(5,6)7/h6-9H,1-5H3;(H,5,6,7)/q+1;/p-1.
What are the key properties of 1-[dichloro(trimethylsilylimino)-λ5-phosphanyl]-N,N-dimethylpyridin-1-ium-4-amine;trifluoromethanesulfonate?
1-[dichloro(trimethylsilylimino)-λ5-phosphanyl]-N,N-dimethylpyridin-1-ium-4-amine;trifluoromethanesulfonate has a molecular weight of 460.32 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dichloro(trimethylsilylimino)-λ5-phosphanyl]-N,N-dimethylpyridin-1-ium-4-amine;trifluoromethanesulfonate is sourced from PubChem (CID 139113883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).