1-nonyl-4-propylpyridin-1-ium fluoride

C17H30FN — CID 171569989

IUPAC1-nonyl-4-propylpyridin-1-ium fluoride
SMILESCCCCCCCCC[n+]1ccc(CCC)cc1.[F-]
InChIInChI=1S/C17H30N.FH/c1-3-5-6-7-8-9-10-14-18-15-12-17(11-4-2)13-16-18;/h12-13,15-16H,3-11,14H2,1-2H3;1H/q+1;/p-1
InChIKeyJGIFCGWWBDFWJA-UHFFFAOYSA-M
MW267.43 g/mol
LogP1.68
Rot. Bonds10

About 1-nonyl-4-propylpyridin-1-ium fluoride

1-nonyl-4-propylpyridin-1-ium fluoride (PubChem CID 171569989) has the molecular formula C17H30FN and a molecular weight of 267.43 g/mol. Its IUPAC name is 1-nonyl-4-propylpyridin-1-ium fluoride.

Molecular Properties

Compound Name1-nonyl-4-propylpyridin-1-ium fluoride
PubChem CID171569989
Molecular FormulaC17H30FN
Molecular Weight267.43 g/mol
Exact Mass267.24
IUPAC Name1-nonyl-4-propylpyridin-1-ium fluoride
SMILESCCCCCCCCC[n+]1ccc(CCC)cc1.[F-]
InChIInChI=1S/C17H30N.FH/c1-3-5-6-7-8-9-10-14-18-15-12-17(11-4-2)13-16-18;/h12-13,15-16H,3-11,14H2,1-2H3;1H/q+1;/p-1
InChIKeyJGIFCGWWBDFWJA-UHFFFAOYSA-M
XLogP1.68
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.43
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-hexyl-4-propylpyridin-1-ium fluoride
CID 171571557
1-hexadecyl-4-propylpyridin-1-ium
CID 69389334
1-octyl-4-propylpyridin-1-ium
CID 18377811
1-pentyl-4-propylpyridin-1-ium
CID 69394623
1-pentadecyl-4-tetradecylpyridin-1-ium
CID 69388055
1-nonyl-4-octylpyridin-1-ium
CID 69390561
1-octadecyl-4-octylpyridin-1-ium
CID 69390260
4-decyl-1-nonadecylpyridin-1-ium
CID 69394028
4-dodecyl-1-pentylpyridin-1-ium
CID 69391900
1-hexadecyl-4-[3-(1-hexadecylpyridin-1-ium-4-yl)propyl]pyridin-1-ium
CID 132541159
1-heptyl-4-pentadecylpyridin-1-ium
CID 69392456
4-decyl-1-heptylpyridin-1-ium
CID 69386084

Frequently Asked Questions

What is the IUPAC name of 1-nonyl-4-propylpyridin-1-ium fluoride?
The IUPAC name of 1-nonyl-4-propylpyridin-1-ium fluoride (CID 171569989) is 1-nonyl-4-propylpyridin-1-ium fluoride.
What is the SMILES notation for 1-nonyl-4-propylpyridin-1-ium fluoride?
The canonical SMILES for 1-nonyl-4-propylpyridin-1-ium fluoride is CCCCCCCCC[n+]1ccc(CCC)cc1.[F-].
What is the InChIKey of 1-nonyl-4-propylpyridin-1-ium fluoride?
The InChIKey is JGIFCGWWBDFWJA-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H30N.FH/c1-3-5-6-7-8-9-10-14-18-15-12-17(11-4-2)13-16-18;/h12-13,15-16H,3-11,14H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 1-nonyl-4-propylpyridin-1-ium fluoride?
1-nonyl-4-propylpyridin-1-ium fluoride has a molecular weight of 267.43 g/mol, XLogP of 1.68, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonyl-4-propylpyridin-1-ium fluoride is sourced from PubChem (CID 171569989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).