4-nonyl-1-phenylpyridin-1-ium

C20H28N+ — CID 69396166

IUPAC4-nonyl-1-phenylpyridin-1-ium
SMILESCCCCCCCCCc1cc[n+](-c2ccccc2)cc1
InChIInChI=1S/C20H28N/c1-2-3-4-5-6-7-9-12-19-15-17-21(18-16-19)20-13-10-8-11-14-20/h8,10-11,13-18H,2-7,9,12H2,1H3/q+1
InChIKeyFNSXDPRSVGEKFF-UHFFFAOYSA-N
MW282.45 g/mol
LogP5.26
Rot. Bonds9

About 4-nonyl-1-phenylpyridin-1-ium

4-nonyl-1-phenylpyridin-1-ium (PubChem CID 69396166) has the molecular formula C20H28N+ and a molecular weight of 282.45 g/mol. Its IUPAC name is 4-nonyl-1-phenylpyridin-1-ium.

Molecular Properties

Compound Name4-nonyl-1-phenylpyridin-1-ium
PubChem CID69396166
Molecular FormulaC20H28N+
Molecular Weight282.45 g/mol
Exact Mass282.22
IUPAC Name4-nonyl-1-phenylpyridin-1-ium
SMILESCCCCCCCCCc1cc[n+](-c2ccccc2)cc1
InChIInChI=1S/C20H28N/c1-2-3-4-5-6-7-9-12-19-15-17-21(18-16-19)20-13-10-8-11-14-20/h8,10-11,13-18H,2-7,9,12H2,1H3/q+1
InChIKeyFNSXDPRSVGEKFF-UHFFFAOYSA-N
XLogP5.26
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.45
LogP ≤ 55.26
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

CID 67791041
CID 67791041
3,5-di(nonyl)-1-phenylpyridin-1-ium
CID 69394551
pentadecane;pentadecylbenzene
CID 174970881
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
hexylbenzene;hydrogen peroxide
CID 90001206
dodecylbenzene;sulfane
CID 20560423
azane;tetradecylbenzene
CID 70503489
3,4-di(nonyl)-1-phenylpyridin-1-ium
CID 69397203
1-benzyl-4-tetradecylpyridin-1-ium
CID 69393999

Frequently Asked Questions

What is the IUPAC name of 4-nonyl-1-phenylpyridin-1-ium?
The IUPAC name of 4-nonyl-1-phenylpyridin-1-ium (CID 69396166) is 4-nonyl-1-phenylpyridin-1-ium.
What is the SMILES notation for 4-nonyl-1-phenylpyridin-1-ium?
The canonical SMILES for 4-nonyl-1-phenylpyridin-1-ium is CCCCCCCCCc1cc[n+](-c2ccccc2)cc1.
What is the InChIKey of 4-nonyl-1-phenylpyridin-1-ium?
The InChIKey is FNSXDPRSVGEKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N/c1-2-3-4-5-6-7-9-12-19-15-17-21(18-16-19)20-13-10-8-11-14-20/h8,10-11,13-18H,2-7,9,12H2,1H3/q+1.
What are the key properties of 4-nonyl-1-phenylpyridin-1-ium?
4-nonyl-1-phenylpyridin-1-ium has a molecular weight of 282.45 g/mol, XLogP of 5.26, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nonyl-1-phenylpyridin-1-ium is sourced from PubChem (CID 69396166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).