1-pentylpyridin-1-ium;trihydrobromide

C10H19Br3N+ — CID 174936866

IUPAC1-pentylpyridin-1-ium;trihydrobromide
SMILESBr.Br.Br.CCCCC[n+]1ccccc1
InChIInChI=1S/C10H16N.3BrH/c1-2-3-5-8-11-9-6-4-7-10-11;;;/h4,6-7,9-10H,2-3,5,8H2,1H3;3*1H/q+1;;;
InChIKeyFAFLWVYRAIAFIS-UHFFFAOYSA-N
MW392.98 g/mol
LogP3.90
Rot. Bonds4

About 1-pentylpyridin-1-ium;trihydrobromide

1-pentylpyridin-1-ium;trihydrobromide (PubChem CID 174936866) has the molecular formula C10H19Br3N+ and a molecular weight of 392.98 g/mol. Its IUPAC name is 1-pentylpyridin-1-ium;trihydrobromide.

Molecular Properties

Compound Name1-pentylpyridin-1-ium;trihydrobromide
PubChem CID174936866
Molecular FormulaC10H19Br3N+
Molecular Weight392.98 g/mol
Exact Mass389.91
IUPAC Name1-pentylpyridin-1-ium;trihydrobromide
SMILESBr.Br.Br.CCCCC[n+]1ccccc1
InChIInChI=1S/C10H16N.3BrH/c1-2-3-5-8-11-9-6-4-7-10-11;;;/h4,6-7,9-10H,2-3,5,8H2,1H3;3*1H/q+1;;;
InChIKeyFAFLWVYRAIAFIS-UHFFFAOYSA-N
XLogP3.90
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.98
LogP ≤ 53.90
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-tetradecylpyridin-1-ium;hydrobromide
CID 123133914
1-hexadecylpyridin-1-ium
CID 159475499
1-dodecylpyridin-1-ium;1-tetradecylpyridin-1-ium
CID 160827832
1-dodecylpyridin-1-ium
CID 7718
azane;1-tetradecylpyridin-1-ium;bromide;hydrobromide
CID 175324484
tris(1-decylpyridin-1-ium);tribromide
CID 174755610
1-hexadecylpyridin-1-ium;sulfanide
CID 86272743
1-tridecylpyridin-1-ium iodide
CID 71429526
bis(1-octylpyridin-1-ium) dibromide
CID 159443545
1-hexadecylpyridin-1-ium;hydrochloride
CID 22717447
disodium;1-hexadecylpyridin-1-ium
CID 67644127
1-dodecylpyridin-1-ium;iodide;dihydroiodide
CID 173462449

Frequently Asked Questions

What is the IUPAC name of 1-pentylpyridin-1-ium;trihydrobromide?
The IUPAC name of 1-pentylpyridin-1-ium;trihydrobromide (CID 174936866) is 1-pentylpyridin-1-ium;trihydrobromide.
What is the SMILES notation for 1-pentylpyridin-1-ium;trihydrobromide?
The canonical SMILES for 1-pentylpyridin-1-ium;trihydrobromide is Br.Br.Br.CCCCC[n+]1ccccc1.
What is the InChIKey of 1-pentylpyridin-1-ium;trihydrobromide?
The InChIKey is FAFLWVYRAIAFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N.3BrH/c1-2-3-5-8-11-9-6-4-7-10-11;;;/h4,6-7,9-10H,2-3,5,8H2,1H3;3*1H/q+1;;;.
What are the key properties of 1-pentylpyridin-1-ium;trihydrobromide?
1-pentylpyridin-1-ium;trihydrobromide has a molecular weight of 392.98 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentylpyridin-1-ium;trihydrobromide is sourced from PubChem (CID 174936866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).