3,5-dibromo-1-decylpyridin-1-ium

C15H24Br2N+ — CID 53315265

IUPAC3,5-dibromo-1-decylpyridin-1-ium
SMILESCCCCCCCCCC[n+]1cc(Br)cc(Br)c1
InChIInChI=1S/C15H24Br2N/c1-2-3-4-5-6-7-8-9-10-18-12-14(16)11-15(17)13-18/h11-13H,2-10H2,1H3/q+1
InChIKeyICIPFLJBHJBMQJ-UHFFFAOYSA-N
MW378.17 g/mol
LogP5.64
Rot. Bonds9

About 3,5-dibromo-1-decylpyridin-1-ium

3,5-dibromo-1-decylpyridin-1-ium (PubChem CID 53315265) has the molecular formula C15H24Br2N+ and a molecular weight of 378.17 g/mol. Its IUPAC name is 3,5-dibromo-1-decylpyridin-1-ium.

Molecular Properties

Compound Name3,5-dibromo-1-decylpyridin-1-ium
PubChem CID53315265
Molecular FormulaC15H24Br2N+
Molecular Weight378.17 g/mol
Exact Mass376.03
IUPAC Name3,5-dibromo-1-decylpyridin-1-ium
SMILESCCCCCCCCCC[n+]1cc(Br)cc(Br)c1
InChIInChI=1S/C15H24Br2N/c1-2-3-4-5-6-7-8-9-10-18-12-14(16)11-15(17)13-18/h11-13H,2-10H2,1H3/q+1
InChIKeyICIPFLJBHJBMQJ-UHFFFAOYSA-N
XLogP5.64
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.17
LogP ≤ 55.64
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

3-bromo-1-hexadecylpyridin-1-ium bromide
CID 129286173
3,5-diheptyl-1-nonadecylpyridin-1-ium
CID 69395824
1-heptadecyl-3,5-dipropylpyridin-1-ium
CID 69388457
1-dodecyl-3,5-di(tetradecyl)pyridin-1-ium
CID 69395325
3,5-didecyl-1-heptadecylpyridin-1-ium
CID 154159083
3,5-di(pentadecyl)-1-tridecylpyridin-1-ium
CID 154158028
1-hexadecyl-3,5-di(propan-2-yl)pyridin-1-ium
CID 69395727
1-dodecyl-3,5-di(propan-2-yl)pyridin-1-ium
CID 69387947
1-butyl-3,5-dimethylpyridin-1-ium;trihydrobromide
CID 174818728
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
3-bromo-1-butylpyridin-1-ium iodide
CID 139697439
1-[4-(3,5-dimethylpyridin-1-ium-1-yl)butyl]-3,5-dimethylpyridin-1-ium;dihydrobromide
CID 126960257

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-1-decylpyridin-1-ium?
The IUPAC name of 3,5-dibromo-1-decylpyridin-1-ium (CID 53315265) is 3,5-dibromo-1-decylpyridin-1-ium.
What is the SMILES notation for 3,5-dibromo-1-decylpyridin-1-ium?
The canonical SMILES for 3,5-dibromo-1-decylpyridin-1-ium is CCCCCCCCCC[n+]1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-1-decylpyridin-1-ium?
The InChIKey is ICIPFLJBHJBMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24Br2N/c1-2-3-4-5-6-7-8-9-10-18-12-14(16)11-15(17)13-18/h11-13H,2-10H2,1H3/q+1.
What are the key properties of 3,5-dibromo-1-decylpyridin-1-ium?
3,5-dibromo-1-decylpyridin-1-ium has a molecular weight of 378.17 g/mol, XLogP of 5.64, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-1-decylpyridin-1-ium is sourced from PubChem (CID 53315265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).