2-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)ethanethiol

C8H8FN3S — CID 82337318

IUPAC2-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)ethanethiol
SMILESFc1cnc2nc(CCS)[nH]c2c1
InChIInChI=1S/C8H8FN3S/c9-5-3-6-8(10-4-5)12-7(11-6)1-2-13/h3-4,13H,1-2H2,(H,10,11,12)
InChIKeyGIMGOZUGMRJVCM-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.57
Rot. Bonds2

About 2-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)ethanethiol

2-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)ethanethiol (PubChem CID 82337318) has the molecular formula C8H8FN3S and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)ethanethiol.

Molecular Properties

Compound Name2-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)ethanethiol
PubChem CID82337318
Molecular FormulaC8H8FN3S
Molecular Weight197.24 g/mol
Exact Mass197.04
IUPAC Name2-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)ethanethiol
SMILESFc1cnc2nc(CCS)[nH]c2c1
InChIInChI=1S/C8H8FN3S/c9-5-3-6-8(10-4-5)12-7(11-6)1-2-13/h3-4,13H,1-2H2,(H,10,11,12)
InChIKeyGIMGOZUGMRJVCM-UHFFFAOYSA-N
XLogP1.57
TPSA41.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)ethanethiol?
The IUPAC name of 2-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)ethanethiol (CID 82337318) is 2-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)ethanethiol.
What is the SMILES notation for 2-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)ethanethiol?
The canonical SMILES for 2-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)ethanethiol is Fc1cnc2nc(CCS)[nH]c2c1.
What is the InChIKey of 2-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)ethanethiol?
The InChIKey is GIMGOZUGMRJVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3S/c9-5-3-6-8(10-4-5)12-7(11-6)1-2-13/h3-4,13H,1-2H2,(H,10,11,12).
What are the key properties of 2-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)ethanethiol?
2-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)ethanethiol has a molecular weight of 197.24 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)ethanethiol is sourced from PubChem (CID 82337318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).