4-pyridin-4-yl-1-tetradecylpyridin-1-ium bromide

C24H37BrN2 — CID 70685881

IUPAC4-pyridin-4-yl-1-tetradecylpyridin-1-ium bromide
SMILESCCCCCCCCCCCCCC[n+]1ccc(-c2ccncc2)cc1.[Br-]
InChIInChI=1S/C24H37N2.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-26-21-16-24(17-22-26)23-14-18-25-19-15-23;/h14-19,21-22H,2-13,20H2,1H3;1H/q+1;/p-1
InChIKeyUYXVQDIWYDDFRV-UHFFFAOYSA-M
MW433.48 g/mol
LogP3.74
Rot. Bonds14

About 4-pyridin-4-yl-1-tetradecylpyridin-1-ium bromide

4-pyridin-4-yl-1-tetradecylpyridin-1-ium bromide (PubChem CID 70685881) has the molecular formula C24H37BrN2 and a molecular weight of 433.48 g/mol. Its IUPAC name is 4-pyridin-4-yl-1-tetradecylpyridin-1-ium bromide.

Molecular Properties

Compound Name4-pyridin-4-yl-1-tetradecylpyridin-1-ium bromide
PubChem CID70685881
Molecular FormulaC24H37BrN2
Molecular Weight433.48 g/mol
Exact Mass432.21
IUPAC Name4-pyridin-4-yl-1-tetradecylpyridin-1-ium bromide
SMILESCCCCCCCCCCCCCC[n+]1ccc(-c2ccncc2)cc1.[Br-]
InChIInChI=1S/C24H37N2.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-26-21-16-24(17-22-26)23-14-18-25-19-15-23;/h14-19,21-22H,2-13,20H2,1H3;1H/q+1;/p-1
InChIKeyUYXVQDIWYDDFRV-UHFFFAOYSA-M
XLogP3.74
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-heptyl-4-pyridin-4-ylpyridin-1-ium;bromide;hydrobromide
CID 174776003
1-butyl-4-pyridin-4-ylpyridin-1-ium bromide
CID 14219812
1-heptyl-4-pyridin-4-ylpyridin-1-ium hexafluorophosphate
CID 177370087
1-dodecyl-4-(1-dodecylpyridin-1-ium-4-yl)pyridin-1-ium bromide
CID 54607465
4-pyridin-4-yl-1-[6-(4-pyridin-4-ylpyridin-1-ium-1-yl)hexyl]pyridin-1-ium
CID 11006947
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
1-butyl-4-(1-octadecylpyridin-1-ium-4-yl)pyridin-1-ium
CID 70694251
1-butyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium
CID 102190926
1-heptyl-4-pyridin-1-ium-4-ylpyridin-1-ium;bromide;chloride
CID 172790212
4-pyridin-4-yl-1-[7-(4-pyridin-4-ylpyridin-1-ium-1-yl)heptyl]pyridin-1-ium dihexafluorophosphate
CID 11115178
1-dodecyl-4-(2-pyridin-4-ylethenyl)pyridin-1-ium bromide
CID 71348914
1-ethyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium
CID 68551074

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-yl-1-tetradecylpyridin-1-ium bromide?
The IUPAC name of 4-pyridin-4-yl-1-tetradecylpyridin-1-ium bromide (CID 70685881) is 4-pyridin-4-yl-1-tetradecylpyridin-1-ium bromide.
What is the SMILES notation for 4-pyridin-4-yl-1-tetradecylpyridin-1-ium bromide?
The canonical SMILES for 4-pyridin-4-yl-1-tetradecylpyridin-1-ium bromide is CCCCCCCCCCCCCC[n+]1ccc(-c2ccncc2)cc1.[Br-].
What is the InChIKey of 4-pyridin-4-yl-1-tetradecylpyridin-1-ium bromide?
The InChIKey is UYXVQDIWYDDFRV-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H37N2.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-26-21-16-24(17-22-26)23-14-18-25-19-15-23;/h14-19,21-22H,2-13,20H2,1H3;1H/q+1;/p-1.
What are the key properties of 4-pyridin-4-yl-1-tetradecylpyridin-1-ium bromide?
4-pyridin-4-yl-1-tetradecylpyridin-1-ium bromide has a molecular weight of 433.48 g/mol, XLogP of 3.74, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-yl-1-tetradecylpyridin-1-ium bromide is sourced from PubChem (CID 70685881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).