4-(trifluoromethoxy)pyridine-2-sulfinic acid

C6H4F3NO3S — CID 146013245

IUPAC4-(trifluoromethoxy)pyridine-2-sulfinic acid
SMILESO=S(O)c1cc(OC(F)(F)F)ccn1
InChIInChI=1S/C6H4F3NO3S/c7-6(8,9)13-4-1-2-10-5(3-4)14(11)12/h1-3H,(H,11,12)
InChIKeyBGSALXNHJKMSBN-UHFFFAOYSA-N
MW227.16 g/mol
LogP1.56
Rot. Bonds2

About 4-(trifluoromethoxy)pyridine-2-sulfinic acid

4-(trifluoromethoxy)pyridine-2-sulfinic acid (PubChem CID 146013245) has the molecular formula C6H4F3NO3S and a molecular weight of 227.16 g/mol. Its IUPAC name is 4-(trifluoromethoxy)pyridine-2-sulfinic acid.

Molecular Properties

Compound Name4-(trifluoromethoxy)pyridine-2-sulfinic acid
PubChem CID146013245
Molecular FormulaC6H4F3NO3S
Molecular Weight227.16 g/mol
Exact Mass226.99
IUPAC Name4-(trifluoromethoxy)pyridine-2-sulfinic acid
SMILESO=S(O)c1cc(OC(F)(F)F)ccn1
InChIInChI=1S/C6H4F3NO3S/c7-6(8,9)13-4-1-2-10-5(3-4)14(11)12/h1-3H,(H,11,12)
InChIKeyBGSALXNHJKMSBN-UHFFFAOYSA-N
XLogP1.56
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.16
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(trifluoromethoxy)pyridine-2-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

Related Compounds

2-ethyl-4-(trifluoromethoxy)pyridine
CID 166104066
4-isocyanopyridine-2-sulfinic acid
CID 168749450
methyl 7-(trifluoromethoxy)quinoline-4-carboxylate
CID 53418982
(2-methyl-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 106756192
2-[2-fluoro-4-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid
CID 123962204
1-methyl-6-(trifluoromethoxy)isoquinoline
CID 91053898
2-hydroxy-5-(trifluoromethoxy)benzoic acid
CID 2775103
1-(4-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 63841534
3-fluoro-4-(trifluoromethoxy)benzenesulfinic acid
CID 67274601
7-(trifluoromethoxy)imidazo[1,2-a]pyridine
CID 91439341
2-carboxy-4-(trifluoromethoxy)phenolate
CID 54711457
2-hydroxy-5-(trifluoromethoxy)benzoyl chloride
CID 134639003

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethoxy)pyridine-2-sulfinic acid?
The IUPAC name of 4-(trifluoromethoxy)pyridine-2-sulfinic acid (CID 146013245) is 4-(trifluoromethoxy)pyridine-2-sulfinic acid.
What is the SMILES notation for 4-(trifluoromethoxy)pyridine-2-sulfinic acid?
The canonical SMILES for 4-(trifluoromethoxy)pyridine-2-sulfinic acid is O=S(O)c1cc(OC(F)(F)F)ccn1.
What is the InChIKey of 4-(trifluoromethoxy)pyridine-2-sulfinic acid?
The InChIKey is BGSALXNHJKMSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO3S/c7-6(8,9)13-4-1-2-10-5(3-4)14(11)12/h1-3H,(H,11,12).
What are the key properties of 4-(trifluoromethoxy)pyridine-2-sulfinic acid?
4-(trifluoromethoxy)pyridine-2-sulfinic acid has a molecular weight of 227.16 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethoxy)pyridine-2-sulfinic acid is sourced from PubChem (CID 146013245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).