1-nonylpyridin-1-ium;phosphoric acid;hexahydrofluoride

C14H33F6NO4P+ — CID 174819115

IUPAC1-nonylpyridin-1-ium;phosphoric acid;hexahydrofluoride
SMILESCCCCCCCCC[n+]1ccccc1.F.F.F.F.F.F.O=P(O)(O)O
InChIInChI=1S/C14H24N.6FH.H3O4P/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15;;;;;;;1-5(2,3)4/h8,10-11,13-14H,2-7,9,12H2,1H3;6*1H;(H3,1,2,3,4)/q+1;;;;;;;
InChIKeyLYRKUDWUBCGBIO-UHFFFAOYSA-N
MW424.38 g/mol
LogP3.71
Rot. Bonds8

About 1-nonylpyridin-1-ium;phosphoric acid;hexahydrofluoride

1-nonylpyridin-1-ium;phosphoric acid;hexahydrofluoride (PubChem CID 174819115) has the molecular formula C14H33F6NO4P+ and a molecular weight of 424.38 g/mol. Its IUPAC name is 1-nonylpyridin-1-ium;phosphoric acid;hexahydrofluoride.

Molecular Properties

Compound Name1-nonylpyridin-1-ium;phosphoric acid;hexahydrofluoride
PubChem CID174819115
Molecular FormulaC14H33F6NO4P+
Molecular Weight424.38 g/mol
Exact Mass424.20
IUPAC Name1-nonylpyridin-1-ium;phosphoric acid;hexahydrofluoride
SMILESCCCCCCCCC[n+]1ccccc1.F.F.F.F.F.F.O=P(O)(O)O
InChIInChI=1S/C14H24N.6FH.H3O4P/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15;;;;;;;1-5(2,3)4/h8,10-11,13-14H,2-7,9,12H2,1H3;6*1H;(H3,1,2,3,4)/q+1;;;;;;;
InChIKeyLYRKUDWUBCGBIO-UHFFFAOYSA-N
XLogP3.71
TPSA81.64 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.38
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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

1-hexadecylpyridin-1-ium
CID 159475499
1-dodecylpyridin-1-ium;1-tetradecylpyridin-1-ium
CID 160827832
1-dodecylpyridin-1-ium
CID 7718
bis(1-hexadecylpyridin-1-ium);hydrogen phosphate;hydroxy(dioxo)tungsten
CID 87487557
disodium;1-hexadecylpyridin-1-ium
CID 67644127
1-tridecylpyridin-1-ium iodide
CID 71429526
1-hexadecylpyridin-1-ium;sulfanide
CID 86272743
tris(1-decylpyridin-1-ium);tribromide
CID 174755610
1-tetradecylpyridin-1-ium;hydrobromide
CID 123133914
1-hexadecylpyridin-1-ium;hydrochloride
CID 22717447
bis(1-octylpyridin-1-ium) dibromide
CID 159443545
1-octadecylpyridin-1-ium;sulfuric acid
CID 67927856

Frequently Asked Questions

What is the IUPAC name of 1-nonylpyridin-1-ium;phosphoric acid;hexahydrofluoride?
The IUPAC name of 1-nonylpyridin-1-ium;phosphoric acid;hexahydrofluoride (CID 174819115) is 1-nonylpyridin-1-ium;phosphoric acid;hexahydrofluoride.
What is the SMILES notation for 1-nonylpyridin-1-ium;phosphoric acid;hexahydrofluoride?
The canonical SMILES for 1-nonylpyridin-1-ium;phosphoric acid;hexahydrofluoride is CCCCCCCCC[n+]1ccccc1.F.F.F.F.F.F.O=P(O)(O)O.
What is the InChIKey of 1-nonylpyridin-1-ium;phosphoric acid;hexahydrofluoride?
The InChIKey is LYRKUDWUBCGBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N.6FH.H3O4P/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15;;;;;;;1-5(2,3)4/h8,10-11,13-14H,2-7,9,12H2,1H3;6*1H;(H3,1,2,3,4)/q+1;;;;;;;.
What are the key properties of 1-nonylpyridin-1-ium;phosphoric acid;hexahydrofluoride?
1-nonylpyridin-1-ium;phosphoric acid;hexahydrofluoride has a molecular weight of 424.38 g/mol, XLogP of 3.71, 8 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonylpyridin-1-ium;phosphoric acid;hexahydrofluoride is sourced from PubChem (CID 174819115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).