pyridine;sulfuric acid;dihydrobromide

C5H9Br2NO4S — CID 66601597

IUPACpyridine;sulfuric acid;dihydrobromide
SMILESBr.Br.O=S(=O)(O)O.c1ccncc1
InChIInChI=1S/C5H5N.2BrH.H2O4S/c1-2-4-6-5-3-1;;;1-5(2,3)4/h1-5H;2*1H;(H2,1,2,3,4)
InChIKeyNSEPIDLLGBDYMR-UHFFFAOYSA-N
MW339.01 g/mol
LogP1.58
Rot. Bonds

About pyridine;sulfuric acid;dihydrobromide

pyridine;sulfuric acid;dihydrobromide (PubChem CID 66601597) has the molecular formula C5H9Br2NO4S and a molecular weight of 339.01 g/mol. Its IUPAC name is pyridine;sulfuric acid;dihydrobromide.

Molecular Properties

Compound Namepyridine;sulfuric acid;dihydrobromide
PubChem CID66601597
Molecular FormulaC5H9Br2NO4S
Molecular Weight339.01 g/mol
Exact Mass336.86
IUPAC Namepyridine;sulfuric acid;dihydrobromide
SMILESBr.Br.O=S(=O)(O)O.c1ccncc1
InChIInChI=1S/C5H5N.2BrH.H2O4S/c1-2-4-6-5-3-1;;;1-5(2,3)4/h1-5H;2*1H;(H2,1,2,3,4)
InChIKeyNSEPIDLLGBDYMR-UHFFFAOYSA-N
XLogP1.58
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.01
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyridine;sulfuric acid;dihydrobromide?
The IUPAC name of pyridine;sulfuric acid;dihydrobromide (CID 66601597) is pyridine;sulfuric acid;dihydrobromide.
What is the SMILES notation for pyridine;sulfuric acid;dihydrobromide?
The canonical SMILES for pyridine;sulfuric acid;dihydrobromide is Br.Br.O=S(=O)(O)O.c1ccncc1.
What is the InChIKey of pyridine;sulfuric acid;dihydrobromide?
The InChIKey is NSEPIDLLGBDYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.2BrH.H2O4S/c1-2-4-6-5-3-1;;;1-5(2,3)4/h1-5H;2*1H;(H2,1,2,3,4).
What are the key properties of pyridine;sulfuric acid;dihydrobromide?
pyridine;sulfuric acid;dihydrobromide has a molecular weight of 339.01 g/mol, XLogP of 1.58, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine;sulfuric acid;dihydrobromide is sourced from PubChem (CID 66601597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).