5-bromopyridin-3-ol;morpholine-4-sulfonic acid

C9H13BrN2O5S — CID 174717058

IUPAC5-bromopyridin-3-ol;morpholine-4-sulfonic acid
SMILESO=S(=O)(O)N1CCOCC1.Oc1cncc(Br)c1
InChIInChI=1S/C5H4BrNO.C4H9NO4S/c6-4-1-5(8)3-7-2-4;6-10(7,8)5-1-3-9-4-2-5/h1-3,8H;1-4H2,(H,6,7,8)
InChIKeyVBYZUHROJZCGNE-UHFFFAOYSA-N
MW341.18 g/mol
LogP0.67
Rot. Bonds1

About 5-bromopyridin-3-ol;morpholine-4-sulfonic acid

5-bromopyridin-3-ol;morpholine-4-sulfonic acid (PubChem CID 174717058) has the molecular formula C9H13BrN2O5S and a molecular weight of 341.18 g/mol. Its IUPAC name is 5-bromopyridin-3-ol;morpholine-4-sulfonic acid.

Molecular Properties

Compound Name5-bromopyridin-3-ol;morpholine-4-sulfonic acid
PubChem CID174717058
Molecular FormulaC9H13BrN2O5S
Molecular Weight341.18 g/mol
Exact Mass339.97
IUPAC Name5-bromopyridin-3-ol;morpholine-4-sulfonic acid
SMILESO=S(=O)(O)N1CCOCC1.Oc1cncc(Br)c1
InChIInChI=1S/C5H4BrNO.C4H9NO4S/c6-4-1-5(8)3-7-2-4;6-10(7,8)5-1-3-9-4-2-5/h1-3,8H;1-4H2,(H,6,7,8)
InChIKeyVBYZUHROJZCGNE-UHFFFAOYSA-N
XLogP0.67
TPSA99.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.18
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 5-bromopyridin-3-ol;morpholine-4-sulfonic acid?
The IUPAC name of 5-bromopyridin-3-ol;morpholine-4-sulfonic acid (CID 174717058) is 5-bromopyridin-3-ol;morpholine-4-sulfonic acid.
What is the SMILES notation for 5-bromopyridin-3-ol;morpholine-4-sulfonic acid?
The canonical SMILES for 5-bromopyridin-3-ol;morpholine-4-sulfonic acid is O=S(=O)(O)N1CCOCC1.Oc1cncc(Br)c1.
What is the InChIKey of 5-bromopyridin-3-ol;morpholine-4-sulfonic acid?
The InChIKey is VBYZUHROJZCGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrNO.C4H9NO4S/c6-4-1-5(8)3-7-2-4;6-10(7,8)5-1-3-9-4-2-5/h1-3,8H;1-4H2,(H,6,7,8).
What are the key properties of 5-bromopyridin-3-ol;morpholine-4-sulfonic acid?
5-bromopyridin-3-ol;morpholine-4-sulfonic acid has a molecular weight of 341.18 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopyridin-3-ol;morpholine-4-sulfonic acid is sourced from PubChem (CID 174717058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).