[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(thiolan-3-yl)methanol

C11H11ClF3NOS — CID 106971988

IUPAC[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(thiolan-3-yl)methanol
SMILESOC(c1ccc(C(F)(F)F)nc1Cl)C1CCSC1
InChIInChI=1S/C11H11ClF3NOS/c12-10-7(9(17)6-3-4-18-5-6)1-2-8(16-10)11(13,14)15/h1-2,6,9,17H,3-5H2
InChIKeyWERIBHFOTUNRRG-UHFFFAOYSA-N
MW297.73 g/mol
LogP3.54
Rot. Bonds2

About [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(thiolan-3-yl)methanol

[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(thiolan-3-yl)methanol (PubChem CID 106971988) has the molecular formula C11H11ClF3NOS and a molecular weight of 297.73 g/mol. Its IUPAC name is [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(thiolan-3-yl)methanol.

Molecular Properties

Compound Name[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(thiolan-3-yl)methanol
PubChem CID106971988
Molecular FormulaC11H11ClF3NOS
Molecular Weight297.73 g/mol
Exact Mass297.02
IUPAC Name[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(thiolan-3-yl)methanol
SMILESOC(c1ccc(C(F)(F)F)nc1Cl)C1CCSC1
InChIInChI=1S/C11H11ClF3NOS/c12-10-7(9(17)6-3-4-18-5-6)1-2-8(16-10)11(13,14)15/h1-2,6,9,17H,3-5H2
InChIKeyWERIBHFOTUNRRG-UHFFFAOYSA-N
XLogP3.54
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[2-Chloro-6-(trifluoromethyl)pyridin-3-yl]methanol
CID 53256696
(3-Chlorophenyl)-[2-chloro-6-(trifluoromethyl)pyridin-3-yl]methanol
CID 23284532
[6-Chloro-2-(2,4-difluorophenyl)-3-pyridinyl]methanol
CID 57184642
[6-Chloro-2-(4-fluorophenyl)-3-pyridinyl]methanol
CID 57239022
1-(6-Chloro-2-methylpyridin-3-yl)-2,2,2-trifluoroethanol
CID 59525938
{2-Chloro-6-(trifluoromethyl)pyridin-3-yl}(phenyl)methanol
CID 86638761
6-Chloro-2-(trifluoromethyl)pyridine-3-methanol
CID 118704229
2-Chloro-6-(difluoromethyl)pyridine-3-methanol
CID 119014933
1-[6-Chloro-2-(trifluoromethyl)-3-pyridinyl]ethanol
CID 130802556
(1R)-1-(2-chloro-7-fluoro-7,8-dihydroquinolin-3-yl)ethanol
CID 134445775
[2-Chloro-4-methyl-6-(trifluoromethyl)pyridin-3-yl]methanol
CID 153337818
1-[2-Ethylsulfanyl-6-(trifluoromethyl)-3-pyridinyl]ethanol
CID 156139090

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(thiolan-3-yl)methanol?
The IUPAC name of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(thiolan-3-yl)methanol (CID 106971988) is [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(thiolan-3-yl)methanol.
What is the SMILES notation for [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(thiolan-3-yl)methanol?
The canonical SMILES for [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(thiolan-3-yl)methanol is OC(c1ccc(C(F)(F)F)nc1Cl)C1CCSC1.
What is the InChIKey of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(thiolan-3-yl)methanol?
The InChIKey is WERIBHFOTUNRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NOS/c12-10-7(9(17)6-3-4-18-5-6)1-2-8(16-10)11(13,14)15/h1-2,6,9,17H,3-5H2.
What are the key properties of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(thiolan-3-yl)methanol?
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(thiolan-3-yl)methanol has a molecular weight of 297.73 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(thiolan-3-yl)methanol is sourced from PubChem (CID 106971988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).