pyridin-1-ium dibromide

C5H6Br2N- — CID 15469340

IUPACpyridin-1-ium dibromide
SMILES[Br-].[Br-].c1cc[nH+]cc1
InChIInChI=1S/C5H5N.2BrH/c1-2-4-6-5-3-1;;/h1-5H;2*1H/p-1
InChIKeyUEXZYUUKJQPTCQ-UHFFFAOYSA-M
MW239.92 g/mol
LogP-5.49
Rot. Bonds

About pyridin-1-ium dibromide

pyridin-1-ium dibromide (PubChem CID 15469340) has the molecular formula C5H6Br2N- and a molecular weight of 239.92 g/mol. Its IUPAC name is pyridin-1-ium dibromide.

Molecular Properties

Compound Namepyridin-1-ium dibromide
PubChem CID15469340
Molecular FormulaC5H6Br2N-
Molecular Weight239.92 g/mol
Exact Mass237.89
IUPAC Namepyridin-1-ium dibromide
SMILES[Br-].[Br-].c1cc[nH+]cc1
InChIInChI=1S/C5H5N.2BrH/c1-2-4-6-5-3-1;;/h1-5H;2*1H/p-1
InChIKeyUEXZYUUKJQPTCQ-UHFFFAOYSA-M
XLogP-5.49
TPSA14.14 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.92
LogP ≤ 5-5.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

pyridin-1-ium;dibromide;hydrobromide
CID 23338098
CID 18413708
CID 18413708
pyridin-1-ium;chloride;iodide
CID 73169683
pyridin-1-ium perchlorate
CID 11105938
pyridin-1-ium;sulfuric acid;chloride
CID 174872617
palladium(2+);bis(pyridin-1-ium);dinitrite
CID 170853525
pyridin-1-ium;tetradecane;chloride
CID 158543271
niobium;oxygen(2-);pyridine;bis(pyridin-1-ium);tetrachloride
CID 139058497
calcium;dioxido(oxo)phosphanium;pyridin-1-ium;hydroxide
CID 157441980
potassium;pyridin-1-ium;acetate;hydroxide
CID 140686110
potassium;phosphenic acid;pyridin-1-ium;hydroxide
CID 140685955
1,2-dichloroprop-1-ene;pyridin-1-ium;iodide
CID 159738262

Frequently Asked Questions

What is the IUPAC name of pyridin-1-ium dibromide?
The IUPAC name of pyridin-1-ium dibromide (CID 15469340) is pyridin-1-ium dibromide.
What is the SMILES notation for pyridin-1-ium dibromide?
The canonical SMILES for pyridin-1-ium dibromide is [Br-].[Br-].c1cc[nH+]cc1.
What is the InChIKey of pyridin-1-ium dibromide?
The InChIKey is UEXZYUUKJQPTCQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H5N.2BrH/c1-2-4-6-5-3-1;;/h1-5H;2*1H/p-1.
What are the key properties of pyridin-1-ium dibromide?
pyridin-1-ium dibromide has a molecular weight of 239.92 g/mol, XLogP of -5.49, 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 is sourced from PubChem (CID 15469340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).