1-tetradecylpyridin-1-ium;hydrobromide

C19H35BrN+ — CID 123133914

IUPAC1-tetradecylpyridin-1-ium;hydrobromide
SMILESBr.CCCCCCCCCCCCCC[n+]1ccccc1
InChIInChI=1S/C19H34N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20;/h13,15-16,18-19H,2-12,14,17H2,1H3;1H/q+1;
InChIKeyHJNAJKBRYDFICV-UHFFFAOYSA-N
MW357.40 g/mol
LogP6.25
Rot. Bonds13

About 1-tetradecylpyridin-1-ium;hydrobromide

1-tetradecylpyridin-1-ium;hydrobromide (PubChem CID 123133914) has the molecular formula C19H35BrN+ and a molecular weight of 357.40 g/mol. Its IUPAC name is 1-tetradecylpyridin-1-ium;hydrobromide.

Molecular Properties

Compound Name1-tetradecylpyridin-1-ium;hydrobromide
PubChem CID123133914
Molecular FormulaC19H35BrN+
Molecular Weight357.40 g/mol
Exact Mass356.19
IUPAC Name1-tetradecylpyridin-1-ium;hydrobromide
SMILESBr.CCCCCCCCCCCCCC[n+]1ccccc1
InChIInChI=1S/C19H34N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20;/h13,15-16,18-19H,2-12,14,17H2,1H3;1H/q+1;
InChIKeyHJNAJKBRYDFICV-UHFFFAOYSA-N
XLogP6.25
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.40
LogP ≤ 56.25
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-hexadecylpyridin-1-ium
CID 159475499
1-dodecylpyridin-1-ium;1-tetradecylpyridin-1-ium
CID 160827832
1-dodecylpyridin-1-ium
CID 7718
1-pentylpyridin-1-ium;trihydrobromide
CID 174936866
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
1-hexadecylpyridin-1-ium;hydrochloride
CID 22717447
bis(1-octylpyridin-1-ium) dibromide
CID 159443545
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-tetradecylpyridin-1-ium;hydrobromide?
The IUPAC name of 1-tetradecylpyridin-1-ium;hydrobromide (CID 123133914) is 1-tetradecylpyridin-1-ium;hydrobromide.
What is the SMILES notation for 1-tetradecylpyridin-1-ium;hydrobromide?
The canonical SMILES for 1-tetradecylpyridin-1-ium;hydrobromide is Br.CCCCCCCCCCCCCC[n+]1ccccc1.
What is the InChIKey of 1-tetradecylpyridin-1-ium;hydrobromide?
The InChIKey is HJNAJKBRYDFICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20;/h13,15-16,18-19H,2-12,14,17H2,1H3;1H/q+1;.
What are the key properties of 1-tetradecylpyridin-1-ium;hydrobromide?
1-tetradecylpyridin-1-ium;hydrobromide has a molecular weight of 357.40 g/mol, XLogP of 6.25, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tetradecylpyridin-1-ium;hydrobromide is sourced from PubChem (CID 123133914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).