6-(trifluoromethyl)pyridine-3-sulfinic acid

C6H4F3NO2S — CID 66936129

IUPAC6-(trifluoromethyl)pyridine-3-sulfinic acid
SMILESO=S(O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C6H4F3NO2S/c7-6(8,9)5-2-1-4(3-10-5)13(11)12/h1-3H,(H,11,12)
InChIKeyDYIZVVXDUHYMQC-UHFFFAOYSA-N
MW211.16 g/mol
LogP1.68
Rot. Bonds1

About 6-(trifluoromethyl)pyridine-3-sulfinic acid

6-(trifluoromethyl)pyridine-3-sulfinic acid (PubChem CID 66936129) has the molecular formula C6H4F3NO2S and a molecular weight of 211.16 g/mol. Its IUPAC name is 6-(trifluoromethyl)pyridine-3-sulfinic acid.

Molecular Properties

Compound Name6-(trifluoromethyl)pyridine-3-sulfinic acid
PubChem CID66936129
Molecular FormulaC6H4F3NO2S
Molecular Weight211.16 g/mol
Exact Mass210.99
IUPAC Name6-(trifluoromethyl)pyridine-3-sulfinic acid
SMILESO=S(O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C6H4F3NO2S/c7-6(8,9)5-2-1-4(3-10-5)13(11)12/h1-3H,(H,11,12)
InChIKeyDYIZVVXDUHYMQC-UHFFFAOYSA-N
XLogP1.68
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.16
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(trifluoromethyl)pyridine-3-sulfinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)pyridine-3-sulfinic acid?
The IUPAC name of 6-(trifluoromethyl)pyridine-3-sulfinic acid (CID 66936129) is 6-(trifluoromethyl)pyridine-3-sulfinic acid.
What is the SMILES notation for 6-(trifluoromethyl)pyridine-3-sulfinic acid?
The canonical SMILES for 6-(trifluoromethyl)pyridine-3-sulfinic acid is O=S(O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 6-(trifluoromethyl)pyridine-3-sulfinic acid?
The InChIKey is DYIZVVXDUHYMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO2S/c7-6(8,9)5-2-1-4(3-10-5)13(11)12/h1-3H,(H,11,12).
What are the key properties of 6-(trifluoromethyl)pyridine-3-sulfinic acid?
6-(trifluoromethyl)pyridine-3-sulfinic acid has a molecular weight of 211.16 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)pyridine-3-sulfinic acid is sourced from PubChem (CID 66936129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).