1-(2-pyridin-1-ium-1-ylethyl)pyridin-1-ium bromide

C12H14BrN2+ — CID 10468084

IUPAC1-(2-pyridin-1-ium-1-ylethyl)pyridin-1-ium bromide
SMILES[Br-].c1cc[n+](CC[n+]2ccccc2)cc1
InChIInChI=1S/C12H14N2.BrH/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;/h1-10H,11-12H2;1H/q+2;/p-1
InChIKeyLBNXRUZHARZZAP-UHFFFAOYSA-M
MW266.16 g/mol
LogP-2.03
Rot. Bonds3

About 1-(2-pyridin-1-ium-1-ylethyl)pyridin-1-ium bromide

1-(2-pyridin-1-ium-1-ylethyl)pyridin-1-ium bromide (PubChem CID 10468084) has the molecular formula C12H14BrN2+ and a molecular weight of 266.16 g/mol. Its IUPAC name is 1-(2-pyridin-1-ium-1-ylethyl)pyridin-1-ium bromide.

Molecular Properties

Compound Name1-(2-pyridin-1-ium-1-ylethyl)pyridin-1-ium bromide
PubChem CID10468084
Molecular FormulaC12H14BrN2+
Molecular Weight266.16 g/mol
Exact Mass265.03
IUPAC Name1-(2-pyridin-1-ium-1-ylethyl)pyridin-1-ium bromide
SMILES[Br-].c1cc[n+](CC[n+]2ccccc2)cc1
InChIInChI=1S/C12H14N2.BrH/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;/h1-10H,11-12H2;1H/q+2;/p-1
InChIKeyLBNXRUZHARZZAP-UHFFFAOYSA-M
XLogP-2.03
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.16
LogP ≤ 5-2.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-pyridin-1-ium-1-ylbutane-1-thiol bromide
CID 118937467
tris(1-decylpyridin-1-ium);tribromide
CID 174755610
bis(1-octylpyridin-1-ium) dibromide
CID 159443545
1-(3-pyridin-1-ium-1-ylpropyl)pyridin-1-ium diperchlorate
CID 45047883
1-(2-pyridin-1-ium-1-ylethyl)pyridin-1-ium;sulfonatooxy sulfate
CID 139061762
1-butylpyridin-1-ium;sulfane
CID 174615974
azane;1-tetradecylpyridin-1-ium;bromide;hydrobromide
CID 175324484
bis(1-ethylpyridin-1-ium);bromide;chloride
CID 70621329
1-dodecylpyridin-1-ium
CID 7718
5-pyridin-1-ium-1-ylpentan-1-amine
CID 23422842
1-hexadecylpyridin-1-ium
CID 159475499
1-dodecylpyridin-1-ium;1-tetradecylpyridin-1-ium
CID 160827832

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-1-ium-1-ylethyl)pyridin-1-ium bromide?
The IUPAC name of 1-(2-pyridin-1-ium-1-ylethyl)pyridin-1-ium bromide (CID 10468084) is 1-(2-pyridin-1-ium-1-ylethyl)pyridin-1-ium bromide.
What is the SMILES notation for 1-(2-pyridin-1-ium-1-ylethyl)pyridin-1-ium bromide?
The canonical SMILES for 1-(2-pyridin-1-ium-1-ylethyl)pyridin-1-ium bromide is [Br-].c1cc[n+](CC[n+]2ccccc2)cc1.
What is the InChIKey of 1-(2-pyridin-1-ium-1-ylethyl)pyridin-1-ium bromide?
The InChIKey is LBNXRUZHARZZAP-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H14N2.BrH/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;/h1-10H,11-12H2;1H/q+2;/p-1.
What are the key properties of 1-(2-pyridin-1-ium-1-ylethyl)pyridin-1-ium bromide?
1-(2-pyridin-1-ium-1-ylethyl)pyridin-1-ium bromide has a molecular weight of 266.16 g/mol, XLogP of -2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-1-ium-1-ylethyl)pyridin-1-ium bromide is sourced from PubChem (CID 10468084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).