dihydroxy(pyridin-2-yl)methanesulfonic acid

C6H7NO5S — CID 174297836

IUPACdihydroxy(pyridin-2-yl)methanesulfonic acid
SMILESO=S(=O)(O)C(O)(O)c1ccccn1
InChIInChI=1S/C6H7NO5S/c8-6(9,13(10,11)12)5-3-1-2-4-7-5/h1-4,8-9H,(H,10,11,12)
InChIKeyDXGJQYJTHGQHJB-UHFFFAOYSA-N
MW205.19 g/mol
LogP-0.94
Rot. Bonds2

About dihydroxy(pyridin-2-yl)methanesulfonic acid

dihydroxy(pyridin-2-yl)methanesulfonic acid (PubChem CID 174297836) has the molecular formula C6H7NO5S and a molecular weight of 205.19 g/mol. Its IUPAC name is dihydroxy(pyridin-2-yl)methanesulfonic acid.

Molecular Properties

Compound Namedihydroxy(pyridin-2-yl)methanesulfonic acid
PubChem CID174297836
Molecular FormulaC6H7NO5S
Molecular Weight205.19 g/mol
Exact Mass205.00
IUPAC Namedihydroxy(pyridin-2-yl)methanesulfonic acid
SMILESO=S(=O)(O)C(O)(O)c1ccccn1
InChIInChI=1S/C6H7NO5S/c8-6(9,13(10,11)12)5-3-1-2-4-7-5/h1-4,8-9H,(H,10,11,12)
InChIKeyDXGJQYJTHGQHJB-UHFFFAOYSA-N
XLogP-0.94
TPSA107.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

dichloro(pyridin-2-yl)methanol;zirconium
CID 174374690
bis(dipyridin-2-ylmethanediol);nickel(2+);dinitrate
CID 139076627
CID 162723245
CID 162723245
1-pyridin-2-ylpropane-1,1-diol
CID 18373059
1,1,3,3-tetrafluoro-2-pyridin-2-ylpropan-2-ol
CID 153440698
copper;bis(dipyridin-2-ylmethanediol);diacetate;tetrahydrate
CID 139065937
(2S)-3-methyl-2-pyridin-2-ylbutan-2-ol
CID 162467836
ethane;2-methyl-1,1-dipyridin-2-ylpropan-1-ol
CID 142343342
2-hydroxy-3-methyl-2-pyridin-2-ylbutanoic acid
CID 83698678
1-hydroxy-1-phenyl-1-pyridin-2-ylpropan-2-one
CID 142148920
(1S)-2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethanol
CID 7018024
2-(2-pyridin-2-ylpropan-2-yloxy)ethanol
CID 141291865

Frequently Asked Questions

What is the IUPAC name of dihydroxy(pyridin-2-yl)methanesulfonic acid?
The IUPAC name of dihydroxy(pyridin-2-yl)methanesulfonic acid (CID 174297836) is dihydroxy(pyridin-2-yl)methanesulfonic acid.
What is the SMILES notation for dihydroxy(pyridin-2-yl)methanesulfonic acid?
The canonical SMILES for dihydroxy(pyridin-2-yl)methanesulfonic acid is O=S(=O)(O)C(O)(O)c1ccccn1.
What is the InChIKey of dihydroxy(pyridin-2-yl)methanesulfonic acid?
The InChIKey is DXGJQYJTHGQHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO5S/c8-6(9,13(10,11)12)5-3-1-2-4-7-5/h1-4,8-9H,(H,10,11,12).
What are the key properties of dihydroxy(pyridin-2-yl)methanesulfonic acid?
dihydroxy(pyridin-2-yl)methanesulfonic acid has a molecular weight of 205.19 g/mol, XLogP of -0.94, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(pyridin-2-yl)methanesulfonic acid is sourced from PubChem (CID 174297836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).