lithium 6-methoxy-2-(trifluoromethyl)pyridine-3-sulfinate

C7H5F3LiNO3S — CID 138039570

IUPAClithium 6-methoxy-2-(trifluoromethyl)pyridine-3-sulfinate
SMILESCOc1ccc(S(=O)[O-])c(C(F)(F)F)n1.[Li+]
InChIInChI=1S/C7H6F3NO3S.Li/c1-14-5-3-2-4(15(12)13)6(11-5)7(8,9)10;/h2-3H,1H3,(H,12,13);/q;+1/p-1
InChIKeySLNYJKZUCYGFPG-UHFFFAOYSA-M
MW247.12 g/mol
LogP-1.65
Rot. Bonds2

About lithium 6-methoxy-2-(trifluoromethyl)pyridine-3-sulfinate

lithium 6-methoxy-2-(trifluoromethyl)pyridine-3-sulfinate (PubChem CID 138039570) has the molecular formula C7H5F3LiNO3S and a molecular weight of 247.12 g/mol. Its IUPAC name is lithium 6-methoxy-2-(trifluoromethyl)pyridine-3-sulfinate.

Molecular Properties

Compound Namelithium 6-methoxy-2-(trifluoromethyl)pyridine-3-sulfinate
PubChem CID138039570
Molecular FormulaC7H5F3LiNO3S
Molecular Weight247.12 g/mol
Exact Mass247.01
IUPAC Namelithium 6-methoxy-2-(trifluoromethyl)pyridine-3-sulfinate
SMILESCOc1ccc(S(=O)[O-])c(C(F)(F)F)n1.[Li+]
InChIInChI=1S/C7H6F3NO3S.Li/c1-14-5-3-2-4(15(12)13)6(11-5)7(8,9)10;/h2-3H,1H3,(H,12,13);/q;+1/p-1
InChIKeySLNYJKZUCYGFPG-UHFFFAOYSA-M
XLogP-1.65
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 5-1.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 lithium 6-methoxy-2-(trifluoromethyl)pyridine-3-sulfinate?
The IUPAC name of lithium 6-methoxy-2-(trifluoromethyl)pyridine-3-sulfinate (CID 138039570) is lithium 6-methoxy-2-(trifluoromethyl)pyridine-3-sulfinate.
What is the SMILES notation for lithium 6-methoxy-2-(trifluoromethyl)pyridine-3-sulfinate?
The canonical SMILES for lithium 6-methoxy-2-(trifluoromethyl)pyridine-3-sulfinate is COc1ccc(S(=O)[O-])c(C(F)(F)F)n1.[Li+].
What is the InChIKey of lithium 6-methoxy-2-(trifluoromethyl)pyridine-3-sulfinate?
The InChIKey is SLNYJKZUCYGFPG-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6F3NO3S.Li/c1-14-5-3-2-4(15(12)13)6(11-5)7(8,9)10;/h2-3H,1H3,(H,12,13);/q;+1/p-1.
What are the key properties of lithium 6-methoxy-2-(trifluoromethyl)pyridine-3-sulfinate?
lithium 6-methoxy-2-(trifluoromethyl)pyridine-3-sulfinate has a molecular weight of 247.12 g/mol, XLogP of -1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 6-methoxy-2-(trifluoromethyl)pyridine-3-sulfinate is sourced from PubChem (CID 138039570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).