pyridin-1-ium;dibromide;hydrobromide

C5H7Br3N- — CID 23338098

IUPACpyridin-1-ium;dibromide;hydrobromide
SMILESBr.[Br-].[Br-].c1cc[nH+]cc1
InChIInChI=1S/C5H5N.3BrH/c1-2-4-6-5-3-1;;;/h1-5H;3*1H/p-1
InChIKeyZPATUOFYXSBHMN-UHFFFAOYSA-M
MW320.83 g/mol
LogP-4.91
Rot. Bonds

About pyridin-1-ium;dibromide;hydrobromide

pyridin-1-ium;dibromide;hydrobromide (PubChem CID 23338098) has the molecular formula C5H7Br3N- and a molecular weight of 320.83 g/mol. Its IUPAC name is pyridin-1-ium;dibromide;hydrobromide.

Molecular Properties

Compound Namepyridin-1-ium;dibromide;hydrobromide
PubChem CID23338098
Molecular FormulaC5H7Br3N-
Molecular Weight320.83 g/mol
Exact Mass317.81
IUPAC Namepyridin-1-ium;dibromide;hydrobromide
SMILESBr.[Br-].[Br-].c1cc[nH+]cc1
InChIInChI=1S/C5H5N.3BrH/c1-2-4-6-5-3-1;;;/h1-5H;3*1H/p-1
InChIKeyZPATUOFYXSBHMN-UHFFFAOYSA-M
XLogP-4.91
TPSA14.14 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.83
LogP ≤ 5-4.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of pyridin-1-ium;dibromide;hydrobromide?
The IUPAC name of pyridin-1-ium;dibromide;hydrobromide (CID 23338098) is pyridin-1-ium;dibromide;hydrobromide.
What is the SMILES notation for pyridin-1-ium;dibromide;hydrobromide?
The canonical SMILES for pyridin-1-ium;dibromide;hydrobromide is Br.[Br-].[Br-].c1cc[nH+]cc1.
What is the InChIKey of pyridin-1-ium;dibromide;hydrobromide?
The InChIKey is ZPATUOFYXSBHMN-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H5N.3BrH/c1-2-4-6-5-3-1;;;/h1-5H;3*1H/p-1.
What are the key properties of pyridin-1-ium;dibromide;hydrobromide?
pyridin-1-ium;dibromide;hydrobromide has a molecular weight of 320.83 g/mol, XLogP of -4.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-1-ium;dibromide;hydrobromide is sourced from PubChem (CID 23338098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).