2-(fluoromethylsulfanyl)-1H-imidazo[4,5-b]pyridine

C7H6FN3S — CID 141354829

IUPAC2-(fluoromethylsulfanyl)-1H-imidazo[4,5-b]pyridine
SMILESFCSc1nc2ncccc2[nH]1
InChIInChI=1S/C7H6FN3S/c8-4-12-7-10-5-2-1-3-9-6(5)11-7/h1-3H,4H2,(H,9,10,11)
InChIKeyZAWUSBASQOVMHK-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.98
Rot. Bonds2

About 2-(fluoromethylsulfanyl)-1H-imidazo[4,5-b]pyridine

2-(fluoromethylsulfanyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 141354829) has the molecular formula C7H6FN3S and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(fluoromethylsulfanyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(fluoromethylsulfanyl)-1H-imidazo[4,5-b]pyridine
PubChem CID141354829
Molecular FormulaC7H6FN3S
Molecular Weight183.21 g/mol
Exact Mass183.03
IUPAC Name2-(fluoromethylsulfanyl)-1H-imidazo[4,5-b]pyridine
SMILESFCSc1nc2ncccc2[nH]1
InChIInChI=1S/C7H6FN3S/c8-4-12-7-10-5-2-1-3-9-6(5)11-7/h1-3H,4H2,(H,9,10,11)
InChIKeyZAWUSBASQOVMHK-UHFFFAOYSA-N
XLogP1.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine
CID 580871
2-[[4-(3-chloropropylsulfanyl)-3-methyl-2-pyridinyl]methylsulfanyl]-1H-imidazo[4,5-b]pyridine;dihydrochloride
CID 67583920
N-cyclohexyl-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 2989776
N-(2,6-dimethylphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 720190
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone
CID 20908779
methyl (2R)-2-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]-2-phenylacetate
CID 7305447
4-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-methyl-2-phenyl-1,3-oxazole
CID 20908483
2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methoxyphenyl)acetamide
CID 3794006
CID 59368109
CID 59368109
2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 20887458
2-ethoxy-1H-imidazo[4,5-b]pyridine
CID 69016773
1H-imidazo[4,5-b]pyridin-2-amine;hydrate;tetrahydrochloride
CID 141030571

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethylsulfanyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(fluoromethylsulfanyl)-1H-imidazo[4,5-b]pyridine (CID 141354829) is 2-(fluoromethylsulfanyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(fluoromethylsulfanyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(fluoromethylsulfanyl)-1H-imidazo[4,5-b]pyridine is FCSc1nc2ncccc2[nH]1.
What is the InChIKey of 2-(fluoromethylsulfanyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is ZAWUSBASQOVMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN3S/c8-4-12-7-10-5-2-1-3-9-6(5)11-7/h1-3H,4H2,(H,9,10,11).
What are the key properties of 2-(fluoromethylsulfanyl)-1H-imidazo[4,5-b]pyridine?
2-(fluoromethylsulfanyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 183.21 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethylsulfanyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 141354829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).