pyridine-2,3-disulfonic acid;1H-pyrrole

C9H10N2O6S2 — CID 174820814

IUPACpyridine-2,3-disulfonic acid;1H-pyrrole
SMILESO=S(=O)(O)c1cccnc1S(=O)(=O)O.c1cc[nH]c1
InChIInChI=1S/C5H5NO6S2.C4H5N/c7-13(8,9)4-2-1-3-6-5(4)14(10,11)12;1-2-4-5-3-1/h1-3H,(H,7,8,9)(H,10,11,12);1-5H
InChIKeyLUSQOERPSJOOOH-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.59
Rot. Bonds2

About pyridine-2,3-disulfonic acid;1H-pyrrole

pyridine-2,3-disulfonic acid;1H-pyrrole (PubChem CID 174820814) has the molecular formula C9H10N2O6S2 and a molecular weight of 306.32 g/mol. Its IUPAC name is pyridine-2,3-disulfonic acid;1H-pyrrole.

Molecular Properties

Compound Namepyridine-2,3-disulfonic acid;1H-pyrrole
PubChem CID174820814
Molecular FormulaC9H10N2O6S2
Molecular Weight306.32 g/mol
Exact Mass306.00
IUPAC Namepyridine-2,3-disulfonic acid;1H-pyrrole
SMILESO=S(=O)(O)c1cccnc1S(=O)(=O)O.c1cc[nH]c1
InChIInChI=1S/C5H5NO6S2.C4H5N/c7-13(8,9)4-2-1-3-6-5(4)14(10,11)12;1-2-4-5-3-1/h1-3H,(H,7,8,9)(H,10,11,12);1-5H
InChIKeyLUSQOERPSJOOOH-UHFFFAOYSA-N
XLogP0.59
TPSA137.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methylpyridine-2-sulfonic acid
CID 2762782
lithium;2-chloropyridine-3-sulfonic acid;hydride
CID 173107701
3-formylpyridine-2-sulfonic acid
CID 87563681
2-(methylamino)pyridine-3-sulfonic acid
CID 15595252
benzenesulfonic acid;1H-pyrrole;hydrochloride
CID 174857072
3-(5-methylfuran-2-yl)pyridine-2-sulfonic acid
CID 175180174
pyridine-2-carbothioic S-acid;1H-pyrrole
CID 174848600
1H-imidazole;naphthalene-1-sulfonic acid
CID 122441142
naphthalene-1-sulfonic acid;2H-triazole
CID 122441144
2-amino-3-[(2-sulfo-3-pyridinyl)sulfanyl]propanoic acid
CID 175225846
2-chloropyridine-3-sulfonic acid;N,N-dimethylformamide
CID 160516087
2,3-bis(benzenesulfonyl)pyridine
CID 140663815

Frequently Asked Questions

What is the IUPAC name of pyridine-2,3-disulfonic acid;1H-pyrrole?
The IUPAC name of pyridine-2,3-disulfonic acid;1H-pyrrole (CID 174820814) is pyridine-2,3-disulfonic acid;1H-pyrrole.
What is the SMILES notation for pyridine-2,3-disulfonic acid;1H-pyrrole?
The canonical SMILES for pyridine-2,3-disulfonic acid;1H-pyrrole is O=S(=O)(O)c1cccnc1S(=O)(=O)O.c1cc[nH]c1.
What is the InChIKey of pyridine-2,3-disulfonic acid;1H-pyrrole?
The InChIKey is LUSQOERPSJOOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO6S2.C4H5N/c7-13(8,9)4-2-1-3-6-5(4)14(10,11)12;1-2-4-5-3-1/h1-3H,(H,7,8,9)(H,10,11,12);1-5H.
What are the key properties of pyridine-2,3-disulfonic acid;1H-pyrrole?
pyridine-2,3-disulfonic acid;1H-pyrrole has a molecular weight of 306.32 g/mol, XLogP of 0.59, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-2,3-disulfonic acid;1H-pyrrole is sourced from PubChem (CID 174820814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).