[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)-3-pyridinyl]-cyclohexylmethanol
CID 106971520
7-bicyclo[4.2.0]octa-1,3,5-trienyl-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106972145
(2-chlorothiophen-3-yl)-(thiolan-3-yl)methanol
CID 131186478
2-[hydroxy(thiolan-3-yl)methyl]phenol
CID 115027036
(5-chlorothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106971530
2-(2-bicyclo[2.2.1]heptanyl)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanol
CID 106972022
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(thian-4-yl)ethanone
CID 106971869
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanol
CID 106972099
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanol
CID 106971550
(4-bromophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106971491
(2-amino-3-fluorophenyl)-(thiolan-3-yl)methanol
CID 105484688
(5-chloro-2-fluorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106971706

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).