3-(5-methylfuran-2-yl)pyridine-2-sulfonic acid

C10H9NO4S — CID 175180174

IUPAC3-(5-methylfuran-2-yl)pyridine-2-sulfonic acid
SMILESCc1ccc(-c2cccnc2S(=O)(=O)O)o1
InChIInChI=1S/C10H9NO4S/c1-7-4-5-9(15-7)8-3-2-6-11-10(8)16(12,13)14/h2-6H,1H3,(H,12,13,14)
InChIKeyVSTUFBDJDLBZAE-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.90
Rot. Bonds2

About 3-(5-methylfuran-2-yl)pyridine-2-sulfonic acid

3-(5-methylfuran-2-yl)pyridine-2-sulfonic acid (PubChem CID 175180174) has the molecular formula C10H9NO4S and a molecular weight of 239.25 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)pyridine-2-sulfonic acid.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)pyridine-2-sulfonic acid
PubChem CID175180174
Molecular FormulaC10H9NO4S
Molecular Weight239.25 g/mol
Exact Mass239.03
IUPAC Name3-(5-methylfuran-2-yl)pyridine-2-sulfonic acid
SMILESCc1ccc(-c2cccnc2S(=O)(=O)O)o1
InChIInChI=1S/C10H9NO4S/c1-7-4-5-9(15-7)8-3-2-6-11-10(8)16(12,13)14/h2-6H,1H3,(H,12,13,14)
InChIKeyVSTUFBDJDLBZAE-UHFFFAOYSA-N
XLogP1.90
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-(5-methylfuran-2-yl)pyridine-2-sulfonic acid?
The IUPAC name of 3-(5-methylfuran-2-yl)pyridine-2-sulfonic acid (CID 175180174) is 3-(5-methylfuran-2-yl)pyridine-2-sulfonic acid.
What is the SMILES notation for 3-(5-methylfuran-2-yl)pyridine-2-sulfonic acid?
The canonical SMILES for 3-(5-methylfuran-2-yl)pyridine-2-sulfonic acid is Cc1ccc(-c2cccnc2S(=O)(=O)O)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)pyridine-2-sulfonic acid?
The InChIKey is VSTUFBDJDLBZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4S/c1-7-4-5-9(15-7)8-3-2-6-11-10(8)16(12,13)14/h2-6H,1H3,(H,12,13,14).
What are the key properties of 3-(5-methylfuran-2-yl)pyridine-2-sulfonic acid?
3-(5-methylfuran-2-yl)pyridine-2-sulfonic acid has a molecular weight of 239.25 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-2-yl)pyridine-2-sulfonic acid is sourced from PubChem (CID 175180174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).