4-methyl-1-nonylpyridin-1-ium hexafluorophosphate

C15H26F6NP — CID 158312080

IUPAC4-methyl-1-nonylpyridin-1-ium hexafluorophosphate
SMILESCCCCCCCCC[n+]1ccc(C)cc1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C15H26N.F6P/c1-3-4-5-6-7-8-9-12-16-13-10-15(2)11-14-16;1-7(2,3,4,5)6/h10-11,13-14H,3-9,12H2,1-2H3;/q+1;-1
InChIKeyGNULJJPSTFNSLV-UHFFFAOYSA-N
MW365.34 g/mol
LogP7.42
Rot. Bonds8

About 4-methyl-1-nonylpyridin-1-ium hexafluorophosphate

4-methyl-1-nonylpyridin-1-ium hexafluorophosphate (PubChem CID 158312080) has the molecular formula C15H26F6NP and a molecular weight of 365.34 g/mol. Its IUPAC name is 4-methyl-1-nonylpyridin-1-ium hexafluorophosphate.

Molecular Properties

Compound Name4-methyl-1-nonylpyridin-1-ium hexafluorophosphate
PubChem CID158312080
Molecular FormulaC15H26F6NP
Molecular Weight365.34 g/mol
Exact Mass365.17
IUPAC Name4-methyl-1-nonylpyridin-1-ium hexafluorophosphate
SMILESCCCCCCCCC[n+]1ccc(C)cc1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C15H26N.F6P/c1-3-4-5-6-7-8-9-12-16-13-10-15(2)11-14-16;1-7(2,3,4,5)6/h10-11,13-14H,3-9,12H2,1-2H3;/q+1;-1
InChIKeyGNULJJPSTFNSLV-UHFFFAOYSA-N
XLogP7.42
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.34
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1-[8-(4-methylpyridin-1-ium-1-yl)octyl]pyridin-1-ium
CID 10813744
4-methyl-1-[10-(4-methylpyridin-1-ium-1-yl)decyl]pyridin-1-ium;tetrahydrobromide
CID 174105717
4-methyl-1-[7-(4-methylpyridin-1-ium-1-yl)heptyl]pyridin-1-ium dibromide
CID 10527247
hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(4-methyl-1-pentylpyridin-1-ium)
CID 173063522
1-dodecyl-4-methylpyridin-1-ium;trifluoromethanesulfonate
CID 171615379
4-methyl-1-nonylpyridin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide
CID 87860640
1-butyl-4-methylpyridin-1-ium;copper;tetrafluoroborate
CID 87482027
4-methyl-1-(3-undecylsulfanylpropyl)pyridin-1-ium
CID 132574963
1-heptyl-4-pyridin-4-ylpyridin-1-ium hexafluorophosphate
CID 177370087
1-tetradecyl-4-[1-[4-[4-(1-tetradecylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butyl]pyridin-1-ium-4-yl]pyridin-1-ium
CID 102224171
sodium;1-butyl-4-methylpyridin-1-ium;hydride;tetrafluoroborate
CID 173026044
1-dodecyl-4-(1-dodecylpyridin-1-ium-4-yl)pyridin-1-ium bromide
CID 54607465

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-nonylpyridin-1-ium hexafluorophosphate?
The IUPAC name of 4-methyl-1-nonylpyridin-1-ium hexafluorophosphate (CID 158312080) is 4-methyl-1-nonylpyridin-1-ium hexafluorophosphate.
What is the SMILES notation for 4-methyl-1-nonylpyridin-1-ium hexafluorophosphate?
The canonical SMILES for 4-methyl-1-nonylpyridin-1-ium hexafluorophosphate is CCCCCCCCC[n+]1ccc(C)cc1.F[P-](F)(F)(F)(F)F.
What is the InChIKey of 4-methyl-1-nonylpyridin-1-ium hexafluorophosphate?
The InChIKey is GNULJJPSTFNSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N.F6P/c1-3-4-5-6-7-8-9-12-16-13-10-15(2)11-14-16;1-7(2,3,4,5)6/h10-11,13-14H,3-9,12H2,1-2H3;/q+1;-1.
What are the key properties of 4-methyl-1-nonylpyridin-1-ium hexafluorophosphate?
4-methyl-1-nonylpyridin-1-ium hexafluorophosphate has a molecular weight of 365.34 g/mol, XLogP of 7.42, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-nonylpyridin-1-ium hexafluorophosphate is sourced from PubChem (CID 158312080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).