6-(2,2,2-trifluoroethoxy)pyridine-3-thiol

C7H6F3NOS — CID 123782720

IUPAC6-(2,2,2-trifluoroethoxy)pyridine-3-thiol
SMILESFC(F)(F)COc1ccc(S)cn1
InChIInChI=1S/C7H6F3NOS/c8-7(9,10)4-12-6-2-1-5(13)3-11-6/h1-3,13H,4H2
InChIKeyMQFSIYRMBHHKLN-UHFFFAOYSA-N
MW209.19 g/mol
LogP2.31
Rot. Bonds2

About 6-(2,2,2-trifluoroethoxy)pyridine-3-thiol

6-(2,2,2-trifluoroethoxy)pyridine-3-thiol (PubChem CID 123782720) has the molecular formula C7H6F3NOS and a molecular weight of 209.19 g/mol. Its IUPAC name is 6-(2,2,2-trifluoroethoxy)pyridine-3-thiol.

Molecular Properties

Compound Name6-(2,2,2-trifluoroethoxy)pyridine-3-thiol
PubChem CID123782720
Molecular FormulaC7H6F3NOS
Molecular Weight209.19 g/mol
Exact Mass209.01
IUPAC Name6-(2,2,2-trifluoroethoxy)pyridine-3-thiol
SMILESFC(F)(F)COc1ccc(S)cn1
InChIInChI=1S/C7H6F3NOS/c8-7(9,10)4-12-6-2-1-5(13)3-11-6/h1-3,13H,4H2
InChIKeyMQFSIYRMBHHKLN-UHFFFAOYSA-N
XLogP2.31
TPSA22.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-(iodomethyl)-2-(2,2,2-trifluoroethoxy)pyridine
CID 162562842
4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]but-3-enenitrile
CID 170800582
1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine
CID 58629100
N-ethyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride
CID 174836554
5-bromo-2-(2,2,2-trifluoroethoxy)pyridine;6-(2,2,2-trifluoroethoxy)pyridin-3-ol
CID 161432610
6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride
CID 165153609
6-(2-methylpropoxy)pyridine-3-thiol
CID 139458928
N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanesulfonamide
CID 61063335
3-bromo-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propane-1,2-diol
CID 171860909
N-(cyclopentylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 55030411
N-cyclohexyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 43677195
5-(4-bromobut-1-ynyl)-2-(2,2,2-trifluoroethoxy)pyridine
CID 170466988

Frequently Asked Questions

What is the IUPAC name of 6-(2,2,2-trifluoroethoxy)pyridine-3-thiol?
The IUPAC name of 6-(2,2,2-trifluoroethoxy)pyridine-3-thiol (CID 123782720) is 6-(2,2,2-trifluoroethoxy)pyridine-3-thiol.
What is the SMILES notation for 6-(2,2,2-trifluoroethoxy)pyridine-3-thiol?
The canonical SMILES for 6-(2,2,2-trifluoroethoxy)pyridine-3-thiol is FC(F)(F)COc1ccc(S)cn1.
What is the InChIKey of 6-(2,2,2-trifluoroethoxy)pyridine-3-thiol?
The InChIKey is MQFSIYRMBHHKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NOS/c8-7(9,10)4-12-6-2-1-5(13)3-11-6/h1-3,13H,4H2.
What are the key properties of 6-(2,2,2-trifluoroethoxy)pyridine-3-thiol?
6-(2,2,2-trifluoroethoxy)pyridine-3-thiol has a molecular weight of 209.19 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,2-trifluoroethoxy)pyridine-3-thiol is sourced from PubChem (CID 123782720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).