Sulfur trioxide-pyridine

C5H5NO3S — CID 168533

IUPACpyridine;sulfur trioxide
SMILESC1=CC=NC=C1.O=S(=O)=O
InChIInChI=1S/C5H5N.O3S/c1-2-4-6-5-3-1;1-4(2)3/h1-5H;
InChIKeyUDYFLDICVHJSOY-UHFFFAOYSA-N
MW159.17 g/mol
LogP—
Rot. Bonds

About Sulfur trioxide-pyridine

Sulfur trioxide-pyridine (PubChem CID 168533) has the molecular formula C5H5NO3S and a molecular weight of 159.17 g/mol. Its IUPAC name is pyridine;sulfur trioxide.

Molecular Properties

Compound NameSulfur trioxide-pyridine
PubChem CID168533
Molecular FormulaC5H5NO3S
Molecular Weight159.17 g/mol
Exact Mass159.00
IUPAC Namepyridine;sulfur trioxide
SMILESC1=CC=NC=C1.O=S(=O)=O
InChIInChI=1S/C5H5N.O3S/c1-2-4-6-5-3-1;1-4(2)3/h1-5H;
InChIKeyUDYFLDICVHJSOY-UHFFFAOYSA-N
XLogP—
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity92

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of Sulfur trioxide-pyridine?
The IUPAC name of Sulfur trioxide-pyridine (CID 168533) is pyridine;sulfur trioxide.
What is the SMILES notation for Sulfur trioxide-pyridine?
The canonical SMILES for Sulfur trioxide-pyridine is C1=CC=NC=C1.O=S(=O)=O.
What is the InChIKey of Sulfur trioxide-pyridine?
The InChIKey is UDYFLDICVHJSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.O3S/c1-2-4-6-5-3-1;1-4(2)3/h1-5H;.
What are the key properties of Sulfur trioxide-pyridine?
Sulfur trioxide-pyridine has a molecular weight of 159.17 g/mol, XLogP of not available, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Sulfur trioxide-pyridine is sourced from PubChem (CID 168533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).