pyridin-3-ol;sulfuric acid

C5H7NO5S — CID 126483658

IUPACpyridin-3-ol;sulfuric acid
SMILESO=S(=O)(O)O.Oc1cccnc1
InChIInChI=1S/C5H5NO.H2O4S/c7-5-2-1-3-6-4-5;1-5(2,3)4/h1-4,7H;(H2,1,2,3,4)
InChIKeyKCJHBBXNYRITRT-UHFFFAOYSA-N
MW193.18 g/mol
LogP0.13
Rot. Bonds

About pyridin-3-ol;sulfuric acid

pyridin-3-ol;sulfuric acid (PubChem CID 126483658) has the molecular formula C5H7NO5S and a molecular weight of 193.18 g/mol. Its IUPAC name is pyridin-3-ol;sulfuric acid.

Molecular Properties

Compound Namepyridin-3-ol;sulfuric acid
PubChem CID126483658
Molecular FormulaC5H7NO5S
Molecular Weight193.18 g/mol
Exact Mass193.00
IUPAC Namepyridin-3-ol;sulfuric acid
SMILESO=S(=O)(O)O.Oc1cccnc1
InChIInChI=1S/C5H5NO.H2O4S/c7-5-2-1-3-6-4-5;1-5(2,3)4/h1-4,7H;(H2,1,2,3,4)
InChIKeyKCJHBBXNYRITRT-UHFFFAOYSA-N
XLogP0.13
TPSA107.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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bis(pyridine);sulfuric acid
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N-phenyl-4-pyridin-3-ylpyrimidin-2-amine;sulfuric acid
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CID 170845022
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Frequently Asked Questions

What is the IUPAC name of pyridin-3-ol;sulfuric acid?
The IUPAC name of pyridin-3-ol;sulfuric acid (CID 126483658) is pyridin-3-ol;sulfuric acid.
What is the SMILES notation for pyridin-3-ol;sulfuric acid?
The canonical SMILES for pyridin-3-ol;sulfuric acid is O=S(=O)(O)O.Oc1cccnc1.
What is the InChIKey of pyridin-3-ol;sulfuric acid?
The InChIKey is KCJHBBXNYRITRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO.H2O4S/c7-5-2-1-3-6-4-5;1-5(2,3)4/h1-4,7H;(H2,1,2,3,4).
What are the key properties of pyridin-3-ol;sulfuric acid?
pyridin-3-ol;sulfuric acid has a molecular weight of 193.18 g/mol, XLogP of 0.13, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-ol;sulfuric acid is sourced from PubChem (CID 126483658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).