2-{[3-(Trifluoromethyl)phenyl]sulfanyl}-3-pyridinol

HCID 902004

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 263390-47-2
Standard SMILES: Oc1cccnc1Sc1cccc(C(F)(F)F)c1
InChIKey: VYSNJZIAYAHDLB-UHFFFAOYSA-N
Molecular formula: C12H8F3NOS
Average molar mass: 271.26 g/mol
Monoisotopic mass: 271.02786954

Names & identifiers

Preferred name: 2-{[3-(Trifluoromethyl)phenyl]sulfanyl}-3-pyridinol
IUPAC: 2-[3-(trifluoromethyl)phenyl]sulfanylpyridin-3-ol

Names & synonyms

2-{[3-(trifluoromethyl)phenyl]sulfanyl}-3-pyridinol263390-47-22-[3-(trifluoromethyl)phenyl]sulfanylpyridin-3-olMLS001180936SCHEMBL6136781CHEMBL1735927VYSNJZIAYAHDLB-UHFFFAOYSA-NDTXSID201326605HMS2810L14SMR000476532AJ-333/250062262-{[3-(Trifluoromethyl)phenyl]sulfanyl}pyridin-3-ol

Database identifiers

CAS: 263390-47-2
PubChem CID: 902004
DTXSID: DTXSID201326605
ChEMBL: CHEMBL1735927

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 58.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 275

Experimental & physicochemical properties

Solubility38.2 [ug/mL] (The mean of the results at pH 7.4)

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…