3-hydroxysulfanyl-2-(trifluoromethyl)pyridine

C6H4F3NOS — CID 164906047

IUPAC3-hydroxysulfanyl-2-(trifluoromethyl)pyridine
SMILESOSc1cccnc1C(F)(F)F
InChIInChI=1S/C6H4F3NOS/c7-6(8,9)5-4(12-11)2-1-3-10-5/h1-3,11H
InChIKeyWCKKTLAMEZHUJV-UHFFFAOYSA-N
MW195.17 g/mol
LogP2.67
Rot. Bonds1

About 3-hydroxysulfanyl-2-(trifluoromethyl)pyridine

3-hydroxysulfanyl-2-(trifluoromethyl)pyridine (PubChem CID 164906047) has the molecular formula C6H4F3NOS and a molecular weight of 195.17 g/mol. Its IUPAC name is 3-hydroxysulfanyl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-hydroxysulfanyl-2-(trifluoromethyl)pyridine
PubChem CID164906047
Molecular FormulaC6H4F3NOS
Molecular Weight195.17 g/mol
Exact Mass195.00
IUPAC Name3-hydroxysulfanyl-2-(trifluoromethyl)pyridine
SMILESOSc1cccnc1C(F)(F)F
InChIInChI=1S/C6H4F3NOS/c7-6(8,9)5-4(12-11)2-1-3-10-5/h1-3,11H
InChIKeyWCKKTLAMEZHUJV-UHFFFAOYSA-N
XLogP2.67
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrimidine
CID 166514333
2-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine
CID 154037897
1-[2-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 55272660
2-(trifluoromethyl)pyridine-3-carboxamide
CID 6425058
1-[2-(trifluoromethyl)-3-pyridinyl]propane-1,2,3-triol
CID 170818245
3-phosphoroso-2-(trifluoromethyl)pyridine
CID 174902231
6-fluoro-2-methylidene-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-1H-pyridin-4-amine
CID 155002557
3-pyridin-2-yl-2-(trifluoromethyl)pyridine
CID 68525561
N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide
CID 58243821
2-(trifluoromethyl)pyridine-3-carbohydrazide
CID 67037194
2-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 23225574
3-propyl-2-(trifluoromethyl)pyridine
CID 19881646

Frequently Asked Questions

What is the IUPAC name of 3-hydroxysulfanyl-2-(trifluoromethyl)pyridine?
The IUPAC name of 3-hydroxysulfanyl-2-(trifluoromethyl)pyridine (CID 164906047) is 3-hydroxysulfanyl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-hydroxysulfanyl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 3-hydroxysulfanyl-2-(trifluoromethyl)pyridine is OSc1cccnc1C(F)(F)F.
What is the InChIKey of 3-hydroxysulfanyl-2-(trifluoromethyl)pyridine?
The InChIKey is WCKKTLAMEZHUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NOS/c7-6(8,9)5-4(12-11)2-1-3-10-5/h1-3,11H.
What are the key properties of 3-hydroxysulfanyl-2-(trifluoromethyl)pyridine?
3-hydroxysulfanyl-2-(trifluoromethyl)pyridine has a molecular weight of 195.17 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxysulfanyl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 164906047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).