sodium 4-(trifluoromethyl)pyridine-2-sulfinate

C6H3F3NNaO2S — CID 131801569

IUPACsodium 4-(trifluoromethyl)pyridine-2-sulfinate
SMILESO=S([O-])c1cc(C(F)(F)F)ccn1.[Na+]
InChIInChI=1S/C6H4F3NO2S.Na/c7-6(8,9)4-1-2-10-5(3-4)13(11)12;/h1-3H,(H,11,12);/q;+1/p-1
InChIKeyVAZRERNOOCYBTB-UHFFFAOYSA-M
MW233.15 g/mol
LogP-1.66
Rot. Bonds1

About sodium 4-(trifluoromethyl)pyridine-2-sulfinate

sodium 4-(trifluoromethyl)pyridine-2-sulfinate (PubChem CID 131801569) has the molecular formula C6H3F3NNaO2S and a molecular weight of 233.15 g/mol. Its IUPAC name is sodium 4-(trifluoromethyl)pyridine-2-sulfinate.

Molecular Properties

Compound Namesodium 4-(trifluoromethyl)pyridine-2-sulfinate
PubChem CID131801569
Molecular FormulaC6H3F3NNaO2S
Molecular Weight233.15 g/mol
Exact Mass232.97
IUPAC Namesodium 4-(trifluoromethyl)pyridine-2-sulfinate
SMILESO=S([O-])c1cc(C(F)(F)F)ccn1.[Na+]
InChIInChI=1S/C6H4F3NO2S.Na/c7-6(8,9)4-1-2-10-5(3-4)13(11)12;/h1-3H,(H,11,12);/q;+1/p-1
InChIKeyVAZRERNOOCYBTB-UHFFFAOYSA-M
XLogP-1.66
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 5-1.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium 4-(trifluoromethyl)pyridine-2-sulfinate?
The IUPAC name of sodium 4-(trifluoromethyl)pyridine-2-sulfinate (CID 131801569) is sodium 4-(trifluoromethyl)pyridine-2-sulfinate.
What is the SMILES notation for sodium 4-(trifluoromethyl)pyridine-2-sulfinate?
The canonical SMILES for sodium 4-(trifluoromethyl)pyridine-2-sulfinate is O=S([O-])c1cc(C(F)(F)F)ccn1.[Na+].
What is the InChIKey of sodium 4-(trifluoromethyl)pyridine-2-sulfinate?
The InChIKey is VAZRERNOOCYBTB-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4F3NO2S.Na/c7-6(8,9)4-1-2-10-5(3-4)13(11)12;/h1-3H,(H,11,12);/q;+1/p-1.
What are the key properties of sodium 4-(trifluoromethyl)pyridine-2-sulfinate?
sodium 4-(trifluoromethyl)pyridine-2-sulfinate has a molecular weight of 233.15 g/mol, XLogP of -1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-(trifluoromethyl)pyridine-2-sulfinate is sourced from PubChem (CID 131801569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).