2-methoxy-4-(trifluoromethyl)pyridine-3-sulfinic acid

C7H6F3NO3S — CID 70211705

IUPAC2-methoxy-4-(trifluoromethyl)pyridine-3-sulfinic acid
SMILESCOc1nccc(C(F)(F)F)c1S(=O)O
InChIInChI=1S/C7H6F3NO3S/c1-14-6-5(15(12)13)4(2-3-11-6)7(8,9)10/h2-3H,1H3,(H,12,13)
InChIKeyDCOLFJBLIORJPN-UHFFFAOYSA-N
MW241.19 g/mol
LogP1.69
Rot. Bonds2

About 2-methoxy-4-(trifluoromethyl)pyridine-3-sulfinic acid

2-methoxy-4-(trifluoromethyl)pyridine-3-sulfinic acid (PubChem CID 70211705) has the molecular formula C7H6F3NO3S and a molecular weight of 241.19 g/mol. Its IUPAC name is 2-methoxy-4-(trifluoromethyl)pyridine-3-sulfinic acid.

Molecular Properties

Compound Name2-methoxy-4-(trifluoromethyl)pyridine-3-sulfinic acid
PubChem CID70211705
Molecular FormulaC7H6F3NO3S
Molecular Weight241.19 g/mol
Exact Mass241.00
IUPAC Name2-methoxy-4-(trifluoromethyl)pyridine-3-sulfinic acid
SMILESCOc1nccc(C(F)(F)F)c1S(=O)O
InChIInChI=1S/C7H6F3NO3S/c1-14-6-5(15(12)13)4(2-3-11-6)7(8,9)10/h2-3H,1H3,(H,12,13)
InChIKeyDCOLFJBLIORJPN-UHFFFAOYSA-N
XLogP1.69
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 51.69
H-Bond Donors ≤ 51
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 2-methoxy-4-(trifluoromethyl)pyridine-3-sulfinic acid?
The IUPAC name of 2-methoxy-4-(trifluoromethyl)pyridine-3-sulfinic acid (CID 70211705) is 2-methoxy-4-(trifluoromethyl)pyridine-3-sulfinic acid.
What is the SMILES notation for 2-methoxy-4-(trifluoromethyl)pyridine-3-sulfinic acid?
The canonical SMILES for 2-methoxy-4-(trifluoromethyl)pyridine-3-sulfinic acid is COc1nccc(C(F)(F)F)c1S(=O)O.
What is the InChIKey of 2-methoxy-4-(trifluoromethyl)pyridine-3-sulfinic acid?
The InChIKey is DCOLFJBLIORJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO3S/c1-14-6-5(15(12)13)4(2-3-11-6)7(8,9)10/h2-3H,1H3,(H,12,13).
What are the key properties of 2-methoxy-4-(trifluoromethyl)pyridine-3-sulfinic acid?
2-methoxy-4-(trifluoromethyl)pyridine-3-sulfinic acid has a molecular weight of 241.19 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(trifluoromethyl)pyridine-3-sulfinic acid is sourced from PubChem (CID 70211705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).