1-tridecylpyridin-1-ium iodide

C18H32IN — CID 71429526

IUPAC1-tridecylpyridin-1-ium iodide
SMILESCCCCCCCCCCCCC[n+]1ccccc1.[I-]
InChIInChI=1S/C18H32N.HI/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-17-14-12-15-18-19;/h12,14-15,17-18H,2-11,13,16H2,1H3;1H/q+1;/p-1
InChIKeyVERNXHLNRAWXBZ-UHFFFAOYSA-M
MW389.37 g/mol
LogP2.29
Rot. Bonds12

About 1-tridecylpyridin-1-ium iodide

1-tridecylpyridin-1-ium iodide (PubChem CID 71429526) has the molecular formula C18H32IN and a molecular weight of 389.37 g/mol. Its IUPAC name is 1-tridecylpyridin-1-ium iodide.

Molecular Properties

Compound Name1-tridecylpyridin-1-ium iodide
PubChem CID71429526
Molecular FormulaC18H32IN
Molecular Weight389.37 g/mol
Exact Mass389.16
IUPAC Name1-tridecylpyridin-1-ium iodide
SMILESCCCCCCCCCCCCC[n+]1ccccc1.[I-]
InChIInChI=1S/C18H32N.HI/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-17-14-12-15-18-19;/h12,14-15,17-18H,2-11,13,16H2,1H3;1H/q+1;/p-1
InChIKeyVERNXHLNRAWXBZ-UHFFFAOYSA-M
XLogP2.29
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.37
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-dodecylpyridin-1-ium;iodide;dihydroiodide
CID 173462449
1-hexadecylpyridin-1-ium
CID 159475499
1-dodecylpyridin-1-ium;1-tetradecylpyridin-1-ium
CID 160827832
1-dodecylpyridin-1-ium
CID 7718
1-hexadecylpyridin-1-ium;sulfanide
CID 86272743
tris(1-decylpyridin-1-ium);tribromide
CID 174755610
bis(1-octylpyridin-1-ium) dibromide
CID 159443545
1-hexadecylpyridin-1-ium;hydrochloride
CID 22717447
1-tetradecylpyridin-1-ium;hydrobromide
CID 123133914
disodium;1-hexadecylpyridin-1-ium
CID 67644127
1-pentylpyridin-1-ium;trihydrobromide
CID 174936866
1-hexadecylpyridin-1-ium;methanamine;chloride
CID 173138894

Frequently Asked Questions

What is the IUPAC name of 1-tridecylpyridin-1-ium iodide?
The IUPAC name of 1-tridecylpyridin-1-ium iodide (CID 71429526) is 1-tridecylpyridin-1-ium iodide.
What is the SMILES notation for 1-tridecylpyridin-1-ium iodide?
The canonical SMILES for 1-tridecylpyridin-1-ium iodide is CCCCCCCCCCCCC[n+]1ccccc1.[I-].
What is the InChIKey of 1-tridecylpyridin-1-ium iodide?
The InChIKey is VERNXHLNRAWXBZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H32N.HI/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-17-14-12-15-18-19;/h12,14-15,17-18H,2-11,13,16H2,1H3;1H/q+1;/p-1.
What are the key properties of 1-tridecylpyridin-1-ium iodide?
1-tridecylpyridin-1-ium iodide has a molecular weight of 389.37 g/mol, XLogP of 2.29, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tridecylpyridin-1-ium iodide is sourced from PubChem (CID 71429526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).