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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Related Compounds

6-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzoxazole
CID 172699656
6-methyl-2-(3,3,3-trifluoropropyl)-1H-imidazo[4,5-b]pyridine
CID 79796392
6-bromo-2-undecyl-1H-imidazo[4,5-b]pyridine
CID 65426544
6-chloro-2-(2-phenylethyl)-1H-imidazo[4,5-b]pyridine
CID 82142267
6-fluoro-2-(furan-2-yl)-1H-imidazo[4,5-b]pyridine
CID 82337329
6-fluoro-2-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
CID 82337330
N-[2-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline
CID 79795868
2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-ethylethanamine
CID 62328822
2-(4-hydroxybutyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821714
6-fluoro-2-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1H-imidazo[4,5-b]pyridine
CID 89433701
2-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 80503771
6-bromo-2-(2-cyclohexylethyl)-1H-imidazo[4,5-b]pyridine
CID 56839810

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).